Publications with DAVE citations
Publications for which authors acknowledge the use of
DAVE
software
/ ################## ACKNOWLEDGMENT REFERENCE SECTION ############>
If you reduced, analyzed or visualized your data using DAVE, please acknowledge its
use by including the following reference:
[1]
DAVE: A comprehensive software suite for the reduction, visualization, and analysis of low energy neutron spectroscopic data
,
R.T. Azuah, L.R. Kneller, Y. Qiu, P.L.W. Tregenna-Piggott, C.M. Brown, J.R.D. Copley, and R.M. Dimeo,
J. Res. Natl. Inst. Stan. Technol. 114, 341 (2009).
Note: For 2006 forward, items marked with a * include citations or
acknowledgments of use of DAVE or its modules in their
text,
while for all others the authors personally acknowledge use of DAVE software.
/ ################# GOTO LINKS ###################>
/ ################ PUBLICATIONS ##################### >
/ ################# SUBMITTED FOR PUBLICATION SECTION ###################>
Submitted
/ ################# IN PRESS SECTION ###################>
In press
/ ################ 2015 PUBLICATIONS ####################>
2015
(3 publications: 3 in text, 0 personal acknowledgments)
Protein and solvent dynamics of the water-soluble chlorophyll-binding protein (WSCP),
Leonid Rusevich, Jan Embs, Inga Bektas, Harald Paulsen, Gernot Renger and Jorg Pieper,
EPJ Web of Conferences 83, 02016 (2015). DOI: 10.1051/epjconf/20158302016
Pressure-induced molten globule state of human acetylcholinesterase: structural and dynamical changes monitored by neutron scattering,
J. Marion, M. Trovaslet, N. Martinez, P. Masson, R. Schweins, F. Nachon, M. Trapp and J. Peters,
Phys. Chem. Chem. Phys. 17, 3157 (2015). DOI: 10.1039/C4CP02992E
Square-Planar Ruthenium(II) Complexes: Control of Spin State by Pincer Ligand Functionalization,
B. Askevold, M.M. Khusniyarov, W. Kroener, K. Gieb, P. Muller, E. Herdtweck, F.W. Heinemann, M. Diefenbach, M.C. Holthausen, V. Vieru, L.F. Chibotaru and S. Schneider,
Chem. Eur. J. 21, 579 (2015). DOI: 10.1002/chem.201404282
/ ################ 2014 PUBLICATIONS ####################>
2014
(50 publications: 50 in text, 0 personal acknowledgments)
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites,
Matthew T. Kapelewski, Stephen J. Geier, Matthew R. Hudson, David Stück, Jarad A. Mason, Jocienne N. Nelson, Dianne J. Xiao, Zeric Hulvey, Elizabeth Gilmour, Stephen A. FitzGerald, Martin Head-Gordon, Craig M. Brown, and Jeffrey R. Long,
J. Am. Chem. Soc. 136, 12119 (2014). DOI: 10.1021/ja506230r
Dynamics and structure of ionic liquids by means of neutron scattering,
Tatsiana Burankova,
Doctoral thesis, Universitat des Saarlandes (2014). DOI: http://scidok.sulb.uni-saarland.de/volltexte/2014/5817/
Hydrogen storage in light alkali-cluster intercalated fullerides,
Mattia Gaboardi,
Doctoral thesis, Universita degli studi di Parma. Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni" (2014). DOI: http://hdl.handle.net/1889/2453
Neutron Scattering Studies of Unusual Spin Structure and Local Correlation in Complex Oxides ,
Dalgis Mesa,
Doctoral thesis, Physics & Astronomy, Louisiana State University (2014). DOI: http://etd.lsu.edu/docs/available/etd-04092014-022214/
Lithium Based Ionogel as Solid State Electrolyte: Dynamics of Confined Ionic Liquid, a Neutron Diffusion Study,
Carole Cerclier, Jean-Marc Zanotti, Jan Embs and Jean Le Bideau,
ECS Trans. 64, 27 (2014). DOI: 10.1149/06404.0027ecst
High-pressure dynamics of hydrated protein in bioprotective trehalose environment,
S. O. Diallo, Q. Zhang, H. O'Neill, and E. Mamontov,
Phys. Rev. E 90, 042725 (2014). DOI: 10.1103/PhysRevE.90.042725
Collective Ion Diffusion and Localized Single Particle Dynamics in Pyridinium-Based Ionic Liquids,
Tatsiana Burankova, Rolf Hempelmann, Andrew Wildes, and Jan P. Embs,
J. Phys. Chem. B 118, 14452 (2014). DOI: 10.1021/jp5092416
Effect of nanocrystallinity on lattice dynamics in Bi2Te3 based thermoelectrics,
B. Klobes, D. Bessas, F. Juranyi, H. Gorlitz, V. Pacheco, R. P. Hermann,
Phys. Status Solidi PRL, 1-5 (2014). DOI: 10.1002/pssr.201409479
Mantid-Data analysis and visualization package for neutron scattering and mu SR experiments,
O. Arnold, J.C. Bilheux, J.M. Borreguero, A. Buts, S.I. Campbell, L. Chapon, M. Doucet, N. Draper, R.F. Leal, M.A. Gigg, V.E. Lynch, A. Markyardsen, D.J. Mikkelson, R.L. Mikkelson, R. Miller, K. Palmen, P. Parker, G. Passos, T.G. Perring, P.F. Peterson, S. Ren, M.A. Reuter, A.T. Sayici, J.W. Taylor, R.J. Taylor, R. Tolchenoy, W. Zhou and J. Zikoysky,
Nucl. Instr. Meth. Phys. Res. 764, 156 (2014). DOI: 10.1016/j.nima.2014.07.029
Observation of distinct atomic relaxation process in a phase-separated metallic glass-forming melt,
Y.X. Huang, W.K. Kin, S. Lan, J.P. Embs, D. Qing, Z.P. Lu, X.L. Wang and S.M. Chathoth,
Europhys. Lett. 108, 46001 (2014). DOI: 10.1209/0295-5075/108/46001
The influence of a hierarchical porous carbon network on the coherent dynamics of a nanoconfined room temperature ionic liquid: A neutron spin echo and atomistic simulation investigation,
J.L. Banuelos, G. Feng, P.F. Fulvio, S. Li, G. Rother, N. Arend, A. Faraone, S. Dai, P.T. Cummings and D.J. Wesolowski,
Carbon 78, 415 (2014). DOI: 10.1016/j.carbon.2014.07.020
Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = CuII, CoII and MnII),
Samira G. Reis, Miguel A. del Aguila-Sanchez, Guilherme P. Guedes, Glaucio B. Ferreira, Miguel A. Novak, Nivaldo L. Speziali, Fernando Lopez-Ortiz and Maria G. F. Vaz,
Dalton Trans. 43, 14889 (2014). DOI: 10.1039/C4DT01444H
Encapsulation of the 4-Mercaptobenzoate Ligand by Macrocyclic Metal Complexes: Conversion of a Metallocavitand to a Metalloligand,
J. Lach, A. Jeremies, D. Breite, B. Abel, B. Mahns, M. Knupfer, V. Matulis, Q.A. Ivashkevich and B. Kersting,
Inorg. Chem. 53, 10825 (2014). DOI: 10.1021/ic500683f
Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi2O6,
Harlyn J. Silverstein, Alison E. Smith, Cole Mauws, Douglas L. Abernathy, Haidong Zhou, Zhiling Dun, Johan van Lierop, and Christopher R. Wiebe,
Phys. Rev. B 90, 140402(R) (2014). DOI: 10.1103/PhysRevB.90.140402
Temperature-Dependent Dynamics of Dry and Hydrated beta-Casein Studied by Quasielastic Neutron Scattering,
G.K. Dhindsa, M. Tyagi and X.Q. Chu,
J. Phys. Chem. B 118, 10821 (2014). DOI: 10.1021/jp504548w
Picosecond Dynamic Heterogeneity, Hopping, and Johari-Goldstein Relaxation in Glass-Forming Liquids,
Marcus T. Cicerone, Qin Zhong, and Madhusudan Tyagi,
Phys. Rev. Lett. 113, 117801 (2014). DOI: 10.1103/PhysRevLett.113.117801
From Spin Glass to Quantum Spin Liquid Ground States in Molybdate Pyrochlores,
L. Clark, G.J. Nilsen, E. Kermarrec, G. Ehlers, K.S. Knight, A. Harrison, J.P. Attfield, and B.D. Gaulin,
Phys. Rev. Lett. 113, 117201 (2014). DOI: 10.1103/PhysRevLett.113.117201
Diffusive and rotational dynamics of condensed n-H2 confined in MCM-41,
T. R. Prisk, M. S. Bryan and P. E. Sokol,
Phys. Chem. Chem. Phys. 16, 17960 (2014). DOI: 10.1039/C4CP02281E
Quasi-Elastic Neutron Scattering Reveals Fast Proton Diffusion in Ca-Doped LaPO4,
A. al-Wahish, N. Jalarvo, Z.H. Bi, K.W. Herwig, C. Bridges, M.P. Paranthaman and D. Mandrus,
J. Phys. Chem. C 118, 20112 (2014). DOI: 10.1021/jp5048425
Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets,
F.J. Kettles, V.A. Milway, F. Tuna, R. Valiente, L.H. Thomas, W. Wernsdorfer, S.T. Ochsenbein and M. Murrie,
Inorg. Chem. 53, 8970 (2014). DOI: 10.1021/ic500885r
A chiral two-dimensional coordination polymer based on Cu-II and (S)-4,4 '-bis(4-carboxyphenyl)-2,2 '-bis(diphenylphosphinoyl)-1,1 '-binaphthyl: Synthesis, structure, and magnetic and optical properties,
W.W. Lestari, P. Lonnecke, H.C. Streit, F. Schleife, C. Wickleder and E. Hey-Hawkins,
Inorg. Chim. Acta 421, 392 (2014). DOI: 10.1016/j.ica.2014.06.006
Proton dynamics of two-dimensional oxalate-bridged coordination polymers,
Satoshi Miyatsu, Maiko Kofu, Atsushi Nagoe, Takeshi Yamada, Masaaki Sadakiyo, Teppei Yamada, Hiroshi Kitagawa, Madhusudan Tyagi, Victoria Garcia Sakai and Osamu Yamamuro,
Phys. Chem. Chem. Phys. 16, 17295 (2014). DOI: 10.1039/C4CP01432D
Anion Reorientations in the Superionic Conducting Phase of Na2B12H12,
N. Verdal, T.J. Udovic, V. Stavila, W.S. Tang, J.J. Rush and A.V. Skripov,
J. Phys. Chem. C 118, 17483 (2014). DOI: 10.1021/jp506252c
Kinetic Trapping of D-2 in MIL-53(Al) Observed Using Neutron Scattering,
R.A. Pollock, J.H. Her, C.M. Brown, Y. Liu and A. Dailly,
J. Phys. Chem. C 118, 18197 (2014). DOI: 10.1021/jp504870n
Correlation of the dynamics of native human acetylcholinesterase and its inhibited huperzine A counterpart from sub-picoseconds to nanoseconds,
M. Trapp, M. Tehei, M. Trovaslet, F. Nachon, N. Martinez, M.M. Koza, M. Weik, P. Masson and J. Peters,
J. R. Soc. Interface 11, issue 97, nos 20140372 (2014). DOI: 10.1098/rsif.2014.0372
Power spectrum, growth velocities and cross-correlations of longitudinal and transverse oscillations of individual Nicotiana tabacum pollen tube,
A. Haduch-Sendecka, M. Pietruszka and P. Zajdel,
Planta 240, 263 (2014). DOI: 10.1007/s00425-014-2083-5
Synthesis and characterization of 5-amino-1,3-di-tert-butyl-2H-tetrazol-1-ium bis[di-mu-chlorido-bis[dichloridocuprate(II)]],
S.V. Voitekhovich, A.S. Lyakhov, L.S. Ivashkevich, F. Schleife, R. Schnorr, B. Kersting and P.N. Gaponik,
Inorg. Chim. Acta 419, 124 (2014). DOI: 10.1016/j.ica.2014.05.008
Temperature and magnetic field dependence of spin-ice correlations in the pyrochlore magnet Tb2Ti2O7,
K. Fritsch, E. Kermarrec, K. A. Ross, Y. Qiu, J. R. D. Copley, D. Pomaranski, J. B. Kycia, H. A. Dabkowska, and B. D. Gaulin,
Phys. Rev. B 90, 014429 (2014). DOI: 10.1103/PhysRevB.90.014429
Dynamics of water in prussian blue analogues: Neutron scattering study,
V. K. Sharma, S. Mitra, N. Thakur, S. M. Yusuf, Fanni Juranyi and R. Mukhopadhyay,
J. Appl. Phys. 116, 034909 (2014). DOI: 10.1063/1.4890722
New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties,
L.B.L. Escobar, G.P. Guedes, S. Soriano, N.L. Speziali, A.K. Jordao, A.C. Cunha, V.F. Ferreira, C. Maxim, M.A. Novak, M. Andruh, and M.G.F. Vaz,
Inorg. Chem. 53, 7508 (2014). DOI: 10.1021/ic5008044
Resolving diffusion in clay minerals at different time scales: Combination of experimental and modeling approaches,
S.V. Churakov, T. Gimmi, T. Unruh, L.R. Van Loon, and F. Juranyi,
Appl. Clay Sci. 96, 36 (2014). DOI: 10.1016/j.clay.2014.04.030
Interrelationship between Number of Mobile Protons, Diffusion Coefficient, and AC Conductivity in Superprotonic Conductors, CsHSO4 and Rb3H(SeO4)2,
Kazuya Kamazawa, Masashi Harada, Toru Araki, Yasumitsu Matsuo, Madhusudan Tyagi, and Jun Sugiyama,
J. Phys. Soc. Jpn. 83, 074604 (2014). DOI: 10.7566/JPSJ.83.074604
Multiple high-temperature transitions driven by dynamical structures in NaI,
M. E. Manley, J. R. Jeffries, H. Lee, N. P. Butch, A. Zabalegui, and D. L. Abernathy,
Phys. Rev. B 89, 224106 (2014). DOI: 10.1103/PhysRevB.89.224106
Experimental and Solid-State Computational Study of Structural and Dynamic Properties in the Equilibrium Form of Temazepam,
A. Pajzderska, K. Druzbicki, M.A. Gonzalez, J. Jenczyk, B. Peplinska, M. Jarek, J. Mielcarek, and J. Wasicki,
J. Phys. Chem. B 118, 6670 (2014). DOI: 10.1021/jp502609b
Incoherent Quasielastic Neutron Scattering Study of the Relaxation Dynamics in Molybdenum-Oxide Keplerate-Type Nanocages,
A. Faraone, E. Fratini, S. Garai, A. Muller, M. Tyagi, T. Jenkins, E. Mamontov, R.L. Paul, J.R.D. Copley and P. Baglioni,
J. Phys. Chem. C 118, 13300 (2014). DOI: 10.1021/jp504547z
Rigidity, Secondary Structure, and the Universality of the Boson Peak in Proteins,
S. Perticaroli, J.D. Nickels, G. Ehlers and A.P. Sokolov,
Biophys. J. 106, 2667 (2014). DOI: 10.1016/j.bpj.2014.05.009
Boson Peak in Deeply Cooled Confined Water: A Possible Way to Explore the Existence of the Liquid-to-Liquid Transition in Water,
Zhe Wang, Kao-Hsiang Liu, Peisi Le, Mingda Li, Wei-Shan Chiang, Juscelino B. Leao, John RD. Copley, Madhusudan Tyagi, Andrey Podlesnyak, Alexander I. Kolesnikov, Chung-Yuan Mou, and Sow-Hsin Chen,
Phys. Rev. Lett. 112, 237802 (2014). DOI: 10.1103/PhysRevLett.112.237802
Magnetic ordering induced by interladder coupling in the spin-1/2 Heisenberg two-leg ladder antiferromagnet C9H18N2CuBr4,
Tao Hong, K. P. Schmidt, K. Coester, F. F. Awwadi, M. M. Turnbull, Y. Qiu, J. A. Rodriguez-Rivera, M. Zhu, X. Ke, C. P. Aoyama, Y. Takano, Huibo Cao, W. Tian, J. Ma, R. Custelcean, H. D. Zhou, and M. Matsuda,
Phys. Rev. B 89, 174432 (2014). DOI: 10.1103/PhysRevB.89.174432
Magnetic Interactions through Fluoride: Magnetic and Spectroscopic Characterization of Discrete, Linearly Bridged [Mn-2(III)(mu-F)F-4(Me(3)tacn)(2)](PF6),
K. S. Pedersen, M. Sigrist, H. Weihe, A. D. Bond, C. A. Thuesen, K. P. Simonsen, T. Birk, H. Mutka, A-L. Barra, J. Bendix,
Inorg. Chem. 53, 5013 (2014). DOI: 10.1021/ic500049w
Fragile antiferromagnetism in the heavy-fermion compound YbBiPt,
B. G. Ueland, A. Kreyssig, K. Prokes, J. W. Lynn, L. W. Harriger, D. K. Pratt, D. K. Singh, T. W. Heitmann, S. Sauerbrei, S. M. Saunders, E. D. Mun, S. L. Bud'ko, R. J. McQueeney, P. C. Canfield, A. I. Goldman,
Phys. Rev. B 89, 180403 (2014). DOI: 10.1103/PhysRevB.89.180403
The Effect of Water Content on Chain Dynamics in Nafion Membranes Measured by Neutron Spin Echo and Dielectric Spectroscopy,
K. A. Page, B. W. Rowe, K. A. Masser, A. Faraone,
J. Polym. Sci. B Polym. Phys. 52, 624 (2014). DOI: 10.1002/polb.23457
Phonon localization drives polar nanoregions in a relaxor ferroelectric,
M. E. Manley, J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, J. D. Budai,
Nat. Commun. 5, 3683 (2014). DOI: 10.1038/ncomms4683
Solvent Effects on the Dynamics of Amyloidogenic Insulin Revealed by Neutron Spin Echo Spectroscopy,
M. Erlkamp, S. Grobelny, A. Faraone, C. Czeslik, R. Winter,
J. Phys. Chem. B 118, 3310 (2014). DOI: 10.1021/jp500530h
Multihydroxyl End Functional Polyethylenes: Synthesis, Bulk and Interfacial Properties of Polymer Surfactants,
S. M. Kimani, R. L. Thompson, L. R. Hutchings, N. Clarke, S. M. R. Billah, V. G. Sakai, S. E. Rogers,
MACROMOLECULES 47, 2062 (2014). DOI: 10.1021/ma402158b
Structure and Dynamics of Octamethyl-POSS Nanoparticles,
N. Jalarvo, O. Gourdon, G. Ehlers, M. Tyagi, S. K. Kumar, K. D. Dobbs, R. J. Smalley, W. E. Guise, A. Ramirez-Cuesta, C. Wildgruber, M. K. Crawford,
J. Phys. Chem. C 118, 5579 (2014). DOI: 10.1021/jp412228r
Dynamics of lysozyme and its hydration water under an electric field,
P. M. Favi, Q. Zhang, H. O'Neill, E. Mamontov, S. O. Diallo,
J. Biol. Phys. 40, 167 (2014). DOI: 10.1007/s10867-014-9343-2
Magnetic Excitations in Metalloporphyrins by Inelastic Neutron Scattering: Determination of Zero-Field Splittings in Iron, Manganese, and Chromium Complexes,
S. C. Hunter, A. A. Podlesnyak, Z-L. Xue,
Inorg. Chem. 53, 1955 (2014). DOI: 10.1021/ic4028354
Inelastic neutron scattering studies of YFeO3,
S. E. Hahn, A. A. Podlesnyak, G. Ehlers, G. E. Granroth, R. S. Fishman, A. I. Kolesnikov, E. Pomjakushina, K. Conder,
Phys. Rev. B 89, 014420 (2014). DOI: 10.1103/PhysRevB.89.014420
Ghost modes and continuum scattering in the dimerized distorted kagome lattice antiferromagnet Rb2Cu3SnF12,
K. Matan, Y. Nambu, Y. Zhao, T.J. Sato, Y. Fukumoto, T. Ono, H. Tanaka, C. Broholm, A. Podlesnyak, G. Ehlers,
Phys. Rev. B 89, 024414 (2014). DOI: 10.1103/PhysRevB.89.024414
Quasielastic Neutron Scattering Study on Polymer Nanocomposites,
T. Masui, H. Kishimoto, T. Kikuchi, S. Ohira-Kawamura, Y. Inamura, T. Koga, K. Nakajima,
J. Phys. Conf. Series 502, 012057 (2014). DOI: 10.1088/1742-6596/502/1/012057
/ ################ 2013 PUBLICATIONS ####################>
2013
(48 publications: 48 in text, 0 personal acknowledgments)
Structure and spectroscopy of hydrogen adsorbed in a nickel metal-organic framework,
C.M. Brown, A. J. Ramirez-Cuesta, J-H Her, P.S. Wheatley, R.E. Morris,
Chem. Phys. 427, 3 (2013). DOI: 10.1016/j.chemphys.2013.08.010
Pressure-Induced Cell Wall Instability and Growth Oscillations in Pollen Tubes,
Mariusz Pietruszka,
Plos One 8, 11 (2013). DOI: 10.1371/journal.pone.0075803
Hydrogen Sorption in Li12C60,
P. Mauron, M. Gaboardi, A. Remhof, A. Bliersbach, D. Sheptyakov, M. Aramini, G. Vlahopoulou, F. Giglio, D. Pontiroli, M. Ricco, A. Zuettelt,
J. Phys. Chem. C 117, 22598 (2013). DOI: 10.1021/jp408652t
Correlation between Supercoiling and Conformational Motions of the Bacterial Flagellar Filament,
A. M. Stadler, T. Unruh, K. Namba, F. Samatey, G. Zaccai,
Biophys. J. 105, 2157 (2013). DOI: 10.1016/j.bpj.2013.09.039
Surface compression of light adsorbates inside microporous PFA-derived carbons,
A. Qajar, M. Peer, R. Rajagopalan, Y. Liu, C. Brown, H. C. Foley,
Carbon 60, 538-549 (2013). DOI: 10.1016/j.carbon.2013.04.001
Membrane formation by preferential solvation of ions in mixture of water, 3-methylpyridine, and sodium tetraphenylborate,
K. Sadakane, M. Nagao, H. Endo, H. Seto,
J. Chem. Phys. 139, 234905 (2013). DOI: 10.1063/1.4838795
Proton dynamics in La0.8Ba1.2GaO3.9 center dot nH(2)O studied by quasielastic incoherent neutron scattering,
N. Jalarvo, L. Stingaciu, D. Gout, Z.H. Bi, M.P. Paranthaman, M. Ohl,
Solid State Ion. 252 12-18 (2013). DOI: 10.1016/j.ssi.2013.07.015
Heptanuclear cobalt(II) dicubane compounds with single-molecule magnet behavior,
G.P. Guedes, S. Soriano, N.M. Comerlato, N.L. Speziali, M.A. Novak, M.G.F. Vaz,
Inorg. Chem. Commun. 37, 101 (2013). DOI: 10.1016/j.inoche.2013.09.034
Proton diffusivity in spark plasma sintered BaCe0.8Y0.2O3 (-) (delta): In-situ combination of quasi-elastic neutron scattering and impedance spectroscopy,
Q.L. Chen, J. Banyte, X.Y. Zhang, J.P. Embs, A. Braun,
Solid State Ion. 252 2-6 (2013). DOI: 10.1016/j.ssi.2013.05.009
Hydrogen dynamics in the low temperature phase of LiBH4 probed by quasielastic neutron scattering,
A. Remhof, A. Zuttel, T.A.J. Ramirez-Cuesta, V. Garcia-Sakai, B. Frick,
Chem. Phys. 427, 147 (2013). DOI: 10.1016/j.chemphys.2013.07.017
Magnetic relaxations in a Tb-based single molecule magnet studied by quasielastic neutron scattering,
M. Kofu, T. Kajiwara, J.S. Gardner, G.G. Simeoni, M. Tyagi, A. Faraone, K. Nakajima, S. Ohira-Kawamura, M. Nakano, O. Yamamuro,
Chem. Phys. 427, 147 (2013). DOI: 10.1016/j.chemphys.2013.10.004
Coherent Neutron Scattering and Collective Dynamics in the Protein, GFP,
J.D. Nickels, S. Perticaroli, H. O'Neill, Q. Zhang, G. Ehlers, A.P. Sokolov,
Biophys. J. 105 (9), 2182 (2013). DOI: 10.1016/j.bpj.2013.09.029
Pentanuclear Heterometallic {Ni(2)Ln(3)} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative,
V. Chandrasekhar, P. Bag, W. Kroener, K. Gieb, P. Muller,
Inorg. Chem. 52 (22), 13078 (2013). DOI: 10.1021/ic4019025
Efficient Parallel Levenberg-Marquardt Model Fitting towards Real-Time Automated Parametric Imaging Microscopy,
X. Zhu, D.W. Zhang,
PLOS ONE, 8 (10) (2013). DOI: 10.1371/journal.pone.0076665
Secondary structure and rigidity in model proteins,
Perticaroli, S., Nickels, J.D., Ehlers, G., O'Neill, H., Zhang, Q., Sokolov, A.P.,
Soft Matter 9, 9548 (2013). DOI: 10.1039/C3SM50807B
Dynamics in protein powders on the nanosecond-picosecond time scale are dominated by localized motions,
Nickels, J.D., Garcia Sakai, V., Sokolov, A.P,
J. Phys. Chem. B 117 (39), pp 11548 (2013). DOI: 10.1021/jp4058884
Optical IFU observations of gas pillars surrounding the super star cluster NGC 3603,
M. S. Westmoquette, J. E. Dale, B. Ercolano and L. J. Smith,
Mon. Not. R. Astron. Soc. 435, 30 (2013). doi: 10.1093/mnras/stt1172
Probing the unusual anion mobility of LiBH4 confined in highly ordered nanoporous carbon frameworks via solid state NMR and quasielastic neutron scattering,
Liu, X., Majzoub, E.H., Stavila, V., Bhakta, R.K., Allendorf, M.D., Shane, D.T., Conradi, M.S., Verdal, N, Udovic, T.J., Hwang, S.-J.,
J. Mater. Chem. A 1, 9935 (2013). DOI: 10.1039/C3TA12051A
Dynamical perturbations of tetrahydroborate anions in LiBH4 due to nanoconfinement in controlled-pore carbon scaffolds,
Verdal, N., Udovic, T.J., Rush, J.J., Liu, X., Majzoub, E.H., Vajo, J.J., Gross, A.F.,
J. Phys. Chem. C 117 (35), 17983 (2013). DOI: 10.1021/jp4063737
New synthetic route toward heterometallic 3d-3d? and 3d-4f single-molecule magnets. the first CoII-MnIII heterometallic complex,
Guedes, G.P., Soriano, S., Mercante, L.A., Speziali, N.L., Novak, M.A., Andruh, M., Vaz, M.G.F.,
Inorg. Chem. 52 (15), 8309 (2013). DOI: 10.1021/ic401479d
Investigation of an unusual low-temperature phase transformation in RbBH4 by neutron diffraction,
Kitchen, B.B., Verdal, N., Udovic, T.J., Rush, J.J., Hartman, M.R., De Vries, D.J.,
J. Solid State Chem. 203, 51 (2013).
Two co-crystalline M(hfac)2(IPhIN)2.M(hfac)2(M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism,
M. G. F. Vaz, H. Akpinar, G. P. Guedes, S. Santos, M. A. Novake, P. M. Lahti,
New J. Chem. 37, 1927 (2013). DOI: 10.1039/C3NJ00047H
Synthesis, Crystal Structure, Spectroscopic and Magnetically Study of Two Copper(II) Complexes with Pyrazole Ligand.,
Davydenko, Y. M., Demeshko, S., Pavlenko, V. A., Dechert, S., Meyer, F. and Fritsky, I. O.,
Z. anorg. allg. Chem. 639, 1472 (2013). DOI: 10.1002/zaac.201300078
New Synthetic Route toward Heterometallic 3d-3d ' and 3d-4f Single-Molecule Magnets. The First Co-II-Mn-III Heterometallic Complex,
G.P. Guedes, S. Soriano, L.A. Mercante, N.L. Speziali, M.A. Novak, M. Andruh, M.G.F. Vaz,
Inorg. Chem. 52, 8309 (2013). DOI: 10.1021/ic401479d
Atomic-Scale Picture of the Ion Conduction Mechanism in a Tetrahedral Network of Lanthanum Barium Gallate,
N. Jalarvo, O. Gourdon, Z.H. Bi, D. Gout, M. Ohl, M.P. Paranthaman,
Chem. Mater. 25, 2741-2748 (2013). DOI: 10.1021/cm400452n
Phases of superfluid helium in smooth cylindrical pores,
T.R. Prisk, N.C. Das, S.O. Diallo, G. Ehlers, A.A. Podlesnyak, N. Wada, S. Inagaki, P.E. Sokol,
Phys. Rev. B 88, 014521 (2013). DOI: 10.1103/PhysRevB.88.014521
Low-temperature water dynamics in an aqueous methanol solution,
C.E. Bertrand, W.-S.Chiang, M. Tyagi, S.H. Chen,
J. Chem. Phys. 139, 014505 (2013). DOI: 10.1063/1.4812286
Evolution of the Reorientational Motions of the Tetrahydroborate Anions in Hexagonal LiBH4-Lil Solid Solution by High-Q Quasielastic Neutron Scattering,
N. Verdal, T.J. Udovic, J.J. Rush, H. Wu, A.V. Skripov,
J. Phys. Chem. C 117, 12010-12018 (2013). DOI: 10.1021/jp403636k
Isotope Effect on Adsorbed Quantum Phases: Diffusion of H-2 and D-2 in Nanoporous Carbon,
C.I. Contescu, H.X. Zhang, R.J. Olsen, E. Mamontov, J.R. Morris, N.C. Gallego,
Phys. Rev. Lett. 110, Issue 23 (2013). DOI: 10.1103/PhysRevLett.110.236102
Dynamics in Anionic Micelles: Effect of Phenyl Ring,
V.K. Sharma, S. Mitra, M. Johnson, R. Mukhopadhyay,
J. Phys. Chem. B 117, 6250-6255 (2013). DOI: 10.1021/jp401831y
Li-ion Conduction in the LiBH4:Lil System from Density Functional Theory Calculations and Quasi-Elastic Neutron Scattering,
J.S.G. Myrdal, D. Blanchard, D. Sveinbjornsson, T. Vegge,
J. Phys. Chem. C 117, 9084 (2013). DOI: 10.1021/jp311980h
Proton Conductivity under Dry Conditions for Mesoporous Silica with Highly Dense Sulfonic Acid Groups,
S. Fujita, K. Kamazawa, S. Yamamoto, M. Tyagi, T. Araki, J. Sugiyama, N. Hasegawa, M. Kawasumi,
J. Phys. Chem. C 117, 8727-8736 (2013). DOI: 10.1021/jp307058s
Localized translational motions in semicrystalline poly(ethylene terephthalate) studied by incoherent quasielastic neutron scattering,
A. Sanz, T.A. Ezquerra, M.C. Garcia-Gutierrez, I. Puente-Orench, J. Campo, A. Nogales,
Eur. Phys. J. E 36, 1292 (2013). DOI: 10.1140/epje/i2013-13024-1
Redox systematics of martian magmas with implications for magnetite stability,
K. Righter1, L. R. Danielson, K. Pando, R. V. Morris, T. G. Graff, D. G. Agresti, A. M. Martin, S. R. Sutton, M. Newville and A. Lanzirotti,
Am. Mineral. 98, 616 (2013). DOI: 10.2138/?am.2013.4251
Toward a new polyethylene scattering law determined using inelastic neutron scattering,
C.M. Lavelle, C.-Y. Liu, M.B. Stone,
Nucl. Instrum. Meth. A 711, 166 (2013). DOI: 10.1016/j.nima.2013.01.048
A new family of trinuclear Nickel(II) complexes as single-molecule magnets ,
R. Biswas, Y. Ida, M.L. Baker, S. Biswas, P. Kar, H. Nojiri, T. Ishida, A. Ghosh,
Chem. Eur. J. 19, 3943 (2013). DOI: 10.1002/chem.201202795
Hydrogen dynamics in nanoconfined lithiumborohydride ,
A. Remhof, P. Mauron, A. Zuttel, J.P. Embs, Z. Lodziana, A.J. Ramirez-Cuesta, P. Ngene, P. De Jongh,
J. Phys. Chem. C 117, 3798 (2013). DOI: 10.1021/jp311064d
Antiferromagnetic spin ice correlations at (12,12,12) in the ground state of the pyrochlore magnet Tb2Ti2O7,
K. Fritsch, K.A. Ross, Y. Qiu, R.R.D. Copley, T. Guidi, R.I. Bewley, H.A. Dabkowska, B.D. Gaulin,
Phys, Rev. B 87, 094410 (2013). DOI: 10.1103/PhysRevB.87.094410
Heterogeneous slow dynamics of imidazolium-based ionic liquids studied by neutron spin echo ,
M. Kofu, M. Nagao, T. Ueki, Y. Kitazawa, Y. Nakamura, S. Sawamura, M. Watanabe, O. Yamamuro,
J. Phys. Chem. B 117, 2773 (2013). DOI: 10.1021/jp312608r
Preparation and Characterization of Dinuclear Nickel(II) Complexes Containing N3Ni(1, 3-SO3R)2(-RCN4)NiN3 Cores: Crystal Structures and Magnetic Properties,
J. Lach, E. Perlt, B. Kirchner, B. Kersting,
Z. anorg. allg. Chem. 639, 524 (2013). DOI: 10.1002/zaac.201200501
The effects of ring expansion and N-methylation on the complexation behaviour of macrodinucleating hexaaza-dithiophenolate macrocycles: Destabilization of the CoIII oxidation level and lowering of the coordination number,
U. Lehmann, J. Lach, F. Schleife, A. Jeremies, B. Kersting,
Eur. J. Inorg. Chem. 2013(8), 1336 (2013). DOI: 10.1002/ejic.201201314
2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(ii) and heterobimetallic Cu(ii)/Mn(ii) complexes,
A.P. Mosalkova, S.V. Voitekhovich, A.S. Lyakhov, L.S. Ivashkevich, J. Lach, B. Kersting, P.N. Gaponik, O.A. Ivashkevich,
Dalton Trans. 42, 2985 (2013). DOI: 10.1039/c2dt32512h
Two new coordination polymers involving Mn(II), Co(II), dicyanamide anion and the nitrogen ligand 5,5?-dimethyl-2,2?-dipyridine: Crystal structures and magnetic properties,
L.B. Lopes, C.C. Correa, G.P. Guedes, M.G.F. Vaz, R. Diniz, F.C. Machado,
Polyhedron 50, 16 (2013).
Organization and flexibility of cyanobacterial thylakoid membranes examined by neutron scattering,
M. Liberton, L.E. Page, W.B. O'Dell, H. O'Neill, E. Mamontov, V.S. Urban, H.B. Pakrasi,
J. Biol. Chem. 288, 3632 (2013).
Tetranuclear complexes composed of dinickel(II) macrocyclic fragments bridged by 5,5 '-(1,3-phenylene)bis-1H-tetrazolato and N,N-bis(tetrazol-5-ato)amine coligands: Synthesis, structures and magnetic properties,
J. Lach, A.P. Mosalkova, S.V. Voitekhovich, P.N. Gaponik, B. Kersting,
Polyhedron 49, 183 (2013). DOI: 10.1016/j.poly.2012.09.027
Vibrational Spectroscopic Study of Subtle Phase Transitions in Alkali Borohydrides: Comparison with First-Principles Calculations,
N. Verdal, T.J. Udovic, W. Zhou, J.J. Rush, D.J. De Vries, M.R. Hartman,
J. Phys. Chem. C 117, 876 (2013). DOI: 10.1021/jp310853u
Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(mu-S-2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties,
U. Lehmann, J. Lach, C. Loose, T. Hahn, B. Kersting, J. Kortus,
Dalton Trans. 42, 987 (2013). DOI: 10.1039/c2dt31973j
/ ################ 2012 PUBLICATIONS ####################>
2012
(41 publications: 40 in text, 1 personal acknowledgments)
* Spectroscopic Identification of Hydrogen Spillover Species in Ruthenium-Modified High Surface Area Carbons by Diffuse Reflectance Infrared Fourier Transform Spectroscopy,
J.L. Blackburn, C. Engtrakul, J.B. Bult, K. Hurst, Y.F. Zhao, Q. Xu, P.A. Parilla, L.J. Simpson, J.D.R. Rocha, M.R. Hudson, C.M. Brown, T. Gennett,
J. Phys. Chem. C 116, 26744 (2012). 10.1021/jp305235p
* Hydrogen diffusion in potassium intercalated graphite studied by quasielastic neutron scattering,
J. Purewal, J.B. Keith, C.C. Ahn, C.M. Brown, M. Tyagi, B. Fultz,
J. Chem. Phys. 137, 224704 (2012). 10.1063/1.4767055
* Two Cobalt(II) Cubane Compounds: The Key Role of Small Ligand Changes on the Crystal Packing and Magnetic Properties,
G.P. Guedes, S. Soriano, N.M. Comerlato, N.L. Speziali, P.M. Lahti, M.A. Novak, M.G.F. Vaz,
Eur. J. Inorg. Chem., issue 34, 5642 (2012). 10.1002/ejic.201200615
* Magnetic order and fluctuations in the presence of quenched disorder in the kagome staircase system (Co1-xMgx)(3)V2O8,
K. Fritsch, Z. Yamani, S. Chang, Y. Qiu, J.R.D. Copley, M. Ramazanoglu, H.A. Dabkowska, B.D. Gaulin,
Phys. Rev. B 86, 174421 (2012). 10.1103/PhysRevB.86.174421
* Stabilization of Hypophosphite in the Binding Pocket of a Dinuclear Macrocyclic Complex: Synthesis, Structure, and Properties of [Ni2L(mu-O2PH2)]BPh4 (L = N6S2 Donor Ligand,
J. Lach, A. Jeremies, V. Lozan, C. Loose, T. Hahn, J. Kortus, B. Kersting,
Inorg. Chem. 51, 12380 (2012). 10.1021/ic301710b
* Cation Dynamics in the Pyridinium Based Ionic Liquid 1-N-Butylpyridinium Bis((trifluoromethyl)sulfonyl) As Seen by Quasielastic Neutron Scattering,
J.P. Embs, T. Burankova, E. Reichert, R. Hempelmann,
J. Phys. Chem. B 116, 13265 (2012). 10.1021/jp3070344
* Slow magnetic relaxation in mononuclear tetrahedral cobalt(II) complexes with 2-(1H-imidazol-2-yl)phenol based ligands,
A. Buchholz, A.O. Eseola, W. Plass,
C. R. Chim. 15, 929 (2012). 10.1016/j.crci.2012.07.005
* GMOS-IFU spectroscopy of the compact H II galaxies Tol 0104-388 and Tol 2146-391: the dependence on the properties of the interstellar medium,
P. Lagos, E. Telles, A. Nigoche-Netro and E. R. Carrasco,
Mon. Not. R. Astron. Soc. 427, 740 (2012). 10.1111/j.1365-2966.2012.21944.x
* Neutron Diffraction Investigations of Magnetism in BiFeO3 Epitaxial Films,
W. Ratcliff II, D. Kan, W. Chen, S. Watson, S. Chi, R. Erwin, G. J. McIntyre, S. C. Capelli, I. Takeuchi,
Advanced Functional Materials 21, 1567 (2012).
* Accurate determination of ferric iron in garnets by bulk Mossbauer spectroscopy and synchrotron micro-XANES,
M.D. Dyar, E.A. Breves, E. Emerson, S.W. Bell, M. Nelms, M.V. Ozanne, S.E. Peel, M.L. Carmosino, J.M. Tucker, M.E. Gunter, J.S. Delaney, A. Lanzirotti, A.B. Woodland,
Am. Mineral. 97, 1726 (2012). 10.2138/am.2012.4107
* Dynamical Features in Cationic Micelles of Varied Chain Length,
V. K. Sharma, S. Mitra, V. Garcia Sakai, R. Mukhopadhyay,
J. Phys. Chem. B 116, 9007 (2012).
* Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns,
Y. Liu, C. M. Brown, D. A. Neumann, D. B. Geohegan, A. A. Puretzky, C. M. Rouleau, H. Hu, D. Styers-Barnett, P. O. Krasnov, B. I. Yakobson,
Carbon 50, 4953 (2012). 10.1016/j.carbon.2012.06.028
* Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe,
Kirsten M. O. Jensen, Emil S. Bozin, Christos D. Malliakas, Matthew B. Stone, Mark D. Lumsden, Mercouri G. Kanatzidis, Stephen M. Shapiro, and Simon J. L. Billinge,
Phys. Rev. B 86, 085313 (2012). 10.1103/PhysRevB.86.085313
* Coherent Dynamics of meta-Toluidine Investigated by QuasiElastic Neutron Scattering,
Antonio Faraone, Kunlun Hong, Larry R. Kneller, Michael Ohl, and John Copley,
J. Chem. Phys. 136, 104502 (2012).
* Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source,
D.L. Abernathy, M.B. Stone, M.J. Loguillo, M.S. Lucas, O. Delaire, X. Tang, J.Y.Y. Lin, and B. Fultz,
Rev. Sci. Instrum. 83, 015114 (2012). 10.1063/1.3680104
* Effect of charged lidocaine on static and dynamic properties of model bio-membranes,
Z. Yi, M. Nagao, D.P. Bossev,
Biophys. Chem. 160, 20 (2012).
* Restricted dynamics of molecular hydrogen confined in activated carbon nanopores,
C.I. Contescu, D. Saha, N.C. Gallego, E. Mamontov, A.I. Koleshnikov, and V.V. Bhat,
Carbon 50, 1071 (2012). 10.1016/j.carbon.2011.10.016
* Lipid Bilayers and Membrane Dynamics: Insight into Thickness Fluctuations,
C. A. Woodka, P. D. Butler, L. Porcar, B. Farago, M. Nagao,
Phys. Rev. Lett. 109, 058102 (2012). 10.1103/PhysRevLett.109.058102
* Proton Hopping and Long-Range Transport in the Protic Ionic Liquid [Im][TFSI], Probed by Pulsed-Field Gradient NMR and Quasi-Elastic Neutron Scattering,
M. L. Hoarfrost, M. Tyagi, R. A. Segalman, J. A. Reimer,
J. Phys. Chem. B 116, 8201 (2012). 10.1021/jp3044237
*Regular High-Nuclearity Species from Square Building Blocks: A Triangular 3 x [2 x 2] Ni-12 Complex Generated by the Self-assembly of Three [2 x 2] Ni-4 Molecular Grids,
Y. S. Moroz, S. Demeshko, M. Haukka, A. Mokhir, U. Mitra, M. Stocker, P. Mueller, F. Meyer, I. O. Fritsky,
Inorg. Chem. 51, 7445 (2012). 10.1021/ic300902z
* Characterization of Morphology and Active Agent Mobility within Hybrid Silica Sol-Gel Composites,
H. O'Neill, S. M. Chathoth, M. B. Cardoso, G. A. Baker, E. Mamontov, V. S. Urban,
J. Phys. Chem. C 116, 13972 (2012). 10.1021/jp3024028
* One dimensional inorganic oxovanadium polymers functionalized with manganese(II) complexes: Structural and magnetic characterization,
M. Saldias, V. Paredes-Garcia, W. Canon-Mancisidor, E. Le Fur, D. Venegas-Yazigi, E. Spodine,
EPOLYHEDRON 41, 120 (2012). 10.1016/j.poly.2012.04.031
* Copper Complexes of "Superpodal" Amine Ligands and Reactivity Studies towards Dioxygen,
A. Jozwiuk, E. A. Uenal, S. Leopold, J. P. Boyd, M. Haryono, N. Kurowski, F. V. Escobar, P. Hildebrandt, J. Lach, F. W. Heinemann, D. Wiedemann, E. Irran, A. Grohmann,
Eur. J. Inorg. Chem. 2012, 3000 (2012). 10.1002/ejic.201101265
* Dynamic Patterning in PEO-Based Single Ion Conductors for Li Ion Batteries,
K. Sinha, W. Wang, K. I. Winey, J. K. Maranas,
Macromolecules 45, 4354 (2012). (2012) 10.1021/ma300051y
* Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)(2)(-) and VO2(OR)(2)(-) Coligands,
V. Lozan, J. Lach, B. Kersting,
Inorg. Chem. 51, 5213 (2012). 10.1021/ic300085f
* Preparation and Characterisation of Dinuclear Nickel(II) Complexes Containing N3Ni(mu 1,3-SO3R)2(mu-O2CR)NiN3 Cores: Crystal Structures and Magnetic Properties of
[Ni2(L2)(O2CCH3)]BPh4 and [Ni2(L2)(O2CPh)]BPh4 [H2L2=Macrocyclic Ligand with a N6(SO3)2 Donor Set],
J. Lach, T. Hahn, B. Kersting, J. Kortus,
Eur. J. Inorg. Chem. 2012, issue 14, 2381 (2012). 10.1002/ejic.201101402
* Effect of Confinement on Proton Transport Mechanisms in Block Copolymer/Ionic Liquid Membranes,
M. L. Hoarfrost, M. S. Tyagi, R. A. Segalman, J. A. Reimer,
Macromolecules 45, 3112 (2012). 10.1021/ma202741g
* Spin dynamics in the multiferroic materials (invited),
F. Ye, R. S. Fishman, J. Haraldsen, B. Lorenz, C. W. Chu, T. Kimura,
J. Appl. Phys. 111 (2012). 10.1063/1.3677863
* Hydrogen species motion in piezoelectrics: A quasi-elastic neutron scattering study,
K. J. Alvine, M. Tyagi, C. M. Brown, T. J. Udovic, T. Jenkins, S. G. Pitman,
J. Appl. Phys. 111, 053505 (2012). 10.1063/1.3691114
* A Pyrazole-Expanded EDTA Ligand and its Pentanuclear Iron(III) Complex,
S. Fischer, S. Demeshko, S. Dechert, F. Meyer,
Z. Anorg. Allg. Chem. 638, 621 (2012). 10.1002/zaac.201100534
* Dynamics of Water Absorbed in Polyamides,
M. Laurati, P. Sotta, D. R. Long, L.-A. Fillot, A. Arbe, A. Alegria, J. P. Embs, T. Unruh, G. J. Schneider, J. Colmenero,
Macromolecules 45, 1676 (2012). 10.1021/ma202368x
* Anharmonic phonons and magnons in BiFeO3,
O. Delaire, M. B. Stone, J. Ma, A. Huq, D. Gout, C. Brown, K. F. Wang, Z. F. Ren,
Phys. Rev. B. 85, 064405 (2012). 10.1103/PhysRevB.85.064405
* Double-Focusing Thermal Triple-Axis Spectrometer at the NCNR,
J. W. Lynn, Y. Chen, S. Chang, Y. Zhao, S. Chi, W. Ratcliff II, B. G. Ueland, R. W. Erwin,
J. Res. Natl. Inst. Stan. Technol. 117, 61 (2012). 10.6028/jres.117.002
* Hindered Rotational Energy Barriers of BH4- Tetrahedra in beta-Mg(BH4)(2) from Quasielastic Neutron Scattering and DFT Calculations,
D. Blanchard, J. B. Maronsson, M. D. Riktor, J. Kheres, D. Sveinbjornsson, E. Gil Bardaji, A. Leon, F. Juranyi, J. Wuttke, K. Lefmann, B. C. Hauback, M. Fichtner, T. Vegge,
J. Phys. Chem. C 116, 2013 (2012). 10.1021/jp208670v
* Dynamics of 1,3-Diphenylpropane Tethered to the Interior Pore Surfaces of MCM-41,
E. J. Kintzel Jr., M. K. Kidder, A. C. Buchanan III, P. F. Britt, E. Mamontov, M. Zamponi, K. W. Herwig,
J. Phys. Chem C 116, 923 (2012). 10.1021/jp209458a
* The Nature of BH4- Reorientations in Hexagonal LiBH4,
N. Verdal, T. J. Udovic, J. J. Rush,
J. Phys. Chem. C 116, 1614 (2012). 10.1021/jp211754g
* Microscopic insights into ion gel dynamics using neutron spectroscopy,
M. Kofu, T. Someya, S. Tatsumi, K. Ueno, T. Ueki, M. Watanabe, T. Matsunaga, M. Shibayama, V. G. Sakai, M. Tyagi, O. Yamamuro,
Soft Matter 8, 3888 (2012). 10.1039/c2sm25348h
* The dynamical landscape in CTAB micelles,
V. K. Sharma, S. Mitra, V. G. Sakai, P. A. Hassan, J. P. Embs, R. Mukhopadhyay,
Soft Matter 8, 3151 (2012). 10.1039/c2sm25515d
* Spatially resolved observations of warm ionized gas and feedback in local ULIRGs,
M. S. Westmoquette, D. L. Clements, G. J. Bendo and S. A. Khan,
Mon. Not. R. Astron. Soc. 424, 416 (2012). 10.1111/j.1365-2966.2012.21214.x
* A VLT VIMOS IFU study of the ionisation nebula surrounding the supersoft X-ray source CAL 83,
P. Gruyters, K. Exter, T. P. Roberts, S. Rappaport,
Astronomy and Astrophysics 544, A86 (2012). 10.1051/0004-6361/201219051
* Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc),
Wendy L. Queen , Eric D. Bloch , Craig M. Brown , Matthew R. Hudson , Jarad A. Mason , Leslie J. Murray , Anibal Javier Ramirez-Cuesta , Vanessa K. Peterson and Jeffrey R. Long ,
Dalton Trans. 41, 4180 (2012). 10.1039/C2DT12138G
/ ################ 2011 PUBLICATIONS ####################>
2011
(69 publications: 37 in text, 32 personal acknowledgments)
* UPDATED ANALYSIS OF THE UPWIND INTERPLANETARY HYDROGEN VELOCITY AS OBSERVED BY THE HUBBLE SPACE TELESCOPE DURING SOLAR CYCLE 23,
V. E. Frédéric, B-J. Lotfi and M. H. Walter,
The Astrophysical Journal 738, 135 (2011).
* Spatially resolved optical integral field unit spectroscopy of the inner superwind of NGC 253,
M. S. Westmoquette1, L. J. Smith, J. S. Gallagher III,
Mon. Not. R. Astron. Soc. 414, 37193739 (2011). 10.1111/j.1365-2966.2011.18675.x
* Molecular mobility in solid sodium dodecyl sulfate,
S. Mitra, V.K. Sharma, V. García Sakai, J.P. Embs, and R. Mukhopadhyay,
J. Phys. Chem. B 115, 9732 (2011).
* Lattice dynamics and anomolous softening in the YbFe4Sb12 skutterudite,
A. Möchel, I. Sergueev, H.-C. Wille, J. Voigt, M. Prager, M.B. Stone, B.C. Sales, Z. Guguchia, A. Shengelaya, V. Keppens, and R.P. Hermann,
Phys. Rev. B 84, 184306 (2011).
* Lattice dynamics in the thermoelectric Zintl compound Yb14MnSb11,
A. Möchel, I. Sergueev, H.-C. Wille, F. Juranyi, H. Schober, W. Schweika, S.R. Brown, S.M. Kauzlarich, and R.P. Hermann,
Phys. Rev. B 84, 184303 (2011).
* Diffusion of water in molecular magnet Cu0.75Mn0.75[Fe(CN)6].7H2O,
V.K. Sharma, S. Mitra, A. Kumar, S.M. Yusuf, F. Juranyi, and R. Mukhopadhyay,
J. Phys.: Condens. Matter 23, 446002 (2011).
* Thermal motion in the multi-subunit protein, apoferritin, as probed by high energy resolution neutron spectroscopy,
M.T.F. Telling, C. Neylon, L. Clifton, S. Howells, L. van Eijck, anc V. García Sakai,
Soft Matter 7, 6934 (2011).
* Direct observation of local Mn-Mn distances in the paramagnetic compound CsMnxMg1-xBr3,
A. Furrer, Th. Strässle, J.P. Embs, F. Juranyi, V. Pomjakushin, M. Schneiderr, and K.W. Krä,
Phys. Rev. Lett. 107, 115502 (2011).
* Water and polymer chains dynamics in chitosan hydrogels by quasielastic neutrons scattering,
V. Tripadus, V. Garcia Zacai, M. Statescu, F. Mihai, L. Cracium, L. Tcacenco, V. Almasan,
Rom. Rep. Phys. 63, 437 (2011).
* Hindered rotational energy barriers of BH4- tetrahedra in β-Mg(BH4)2 from quasielastic neutron scattering and DFT calculations,
D. Blanchard, J.B. Marosson, M.D. Riktor, J. Kheres, D. Sveinbjörnsson, E.G. Bardaji, A.N. Leon, F. Juranyi, J. Wuttke, K. Lefman, B.C. Hauback, M. Fichtner, and T. Vegge,
J. Phys. Chem. C. DOI: 10.1021/jp208670v (2011).
* Differences in Fe-redox for asbestiform and nonasbestiform amphiboles from the former vermiculite mine, near Libby, Montana, U.S.A.,
M.E. Gunter, M.D. Dyer, A. Lanzirotti, J.M. Tucker, and E.A. Speicher,
American Mineralogist 96, 1414 (2011).
* Magnetic excitations in the geometric frustrated multiferroic CuCrO2,
M. Frontzek, J.T. Haraldsen, A. Podlesnyak, M. Matsuda, A.D. Christianson, R.S. Fishman, A.S. Sefat, Y. Qiu, J.R.D. Copley, S. Barilo, S.V. Shiryaev, and G. Ehlers,
Phys. Rev. B 84, 094448 (2011).
Dzyaloshinsky-Moriya interaction and long lifetime of the spin state in the Cu3 triangular spin cluster by inelastic neutron scattering,
K. Lida, Y. Qiu, and T.J. Sato,
Phys. Rev. B 84, 094449 (2011).
Quantum Spin Fluctuations in the Spin Liquid State of Tb2Ti2O7,
H. Takatsu, H. Kadowaki, T.J. Sato, J.W. Lynn, Y. Tabata, T. Yamakaki, and K. Matsuhira,
J. Phys. Cont. Matr. 24, 052201 (2011).
* Dynamics of thermodynamically stable, kinetically trapped, and inhibitor-bound states of pepsin,
D.R. Dee, B. Myers, and R.Y. Yada,
Biophys. J. 101, 1699 (2011).
Hydrogen dynamics in Ce2Fe17H5: inelastic and quasielastic neutron scattering studies,
A.V. Skripov, N.V. Mushnikov, P.B. Terent'ev, V.S. Gaviko, T.J. Udovic, and J.J. Rush,
J. Phys.: Condens. Matter 23, 405402 (2011).
Structural Collapse and 45 K Superconductivity in Electron-doped CaFe2As2,
S.R. Saha, N.P. Butch, T. Drye, J. Magill, S. Ziemak, K. Kirshenbaum, P. Y. Zavalij, J. W. Lynn, and J. Paglione,
Phys. Rev. B 85, 024525 (2011).
* The dynamics of unfolded versus folded tRNA: the role of electrostatic interactions,
J.H. Roh, M. Tyagi, R.M. Briber, S.A. Woodson, and A.P. Sokolov,
J. Am. Chem. Soc. 133, 16406 (2011).
* Segmental dynamics and ion association in PEO-based single ion conductors,
K. Sinha and J.K. Maranas,
Macromolecules 44, 5381 (2011).
Evolution of the Commensurate and Incommensurate Magnetic Phases of S=3/2 Kagome Staircase Co3V2O8 in an Applied Field,
J.S. Helton, Y. Chen, S.N. Barilo, N. Rogado, R.J. Cava, and J.W. Lynn,
J. Phys. Cont. Matr. 24, 016003 (2011).
* Interlayer distance dependence of thickness fluctuations in a swollen lamellar phase,
M. Nagao, S. Chawang, and T. Hawa,
Soft Matter 7, 6598 (2011).
Common Origin of the two types of Magnetic Fluctuations in Iron Chalcogenides,
S. Chi, J.A. Rodriguez, J. W. Lynn, Chenglin Zhang, D. Phelan, D. K. Singh, R. Paul, and P. Dai,
Phys. Rev. B 84 (2011).
* Hierarchical structure and dynamics of an ionic liquid 1-octyl-3-methylimidazolium chloride,
O. Yamamuro, T. Yamada, M. Kofu, M. Nakakoshi, and M. Nagao,
J. Chem. Phys. 135, 054508 (2011).
* Temperature and scattering contrast dependencies of thickness fluctuations in surfactant membranes,
M. Nagao,
J. Chem. Phys. 135, 074704 (2011).
Magnetic Field Tuning of Antiferromagnetic Yb3Pt4,
L. S. Wu, Y. Janssen, C. Marques, M. C. Bennett, M. S. Kim, K. S. Park, Songxue Chi, J. W. Lynn, G. Lorusso, G. Biasiol, and M. C. Aronson,
Phys. Rev. B 84, 134409 (2011).
* Light-controlled protein dynamics observed with neutron spin echo measurements,
S.-C. Wang, P. Mirarefi, A. Faraone, C.T. Lee, Jr.,
Biochemistry 50, 8150 (2011).
* Quasi-elastic neutron scattering studies on dynamics of water confined in nanoporous copper rubeanate hydrates,
Ta. Yamada, R. Yonamine, Te. Yamada, H. Kitagawa, M. Tyagi, M. Nagao, and O. Yamamuro,
J. Phys. Chem. B 115, 13563 (2011).
Neutron Diffraction Study of the Mn Spin Correlations in Bi0.46Ca0.54Mn0.95Cr0.05O3,
C.-H. Lee, C.-M. Wu, D. Hsu, C.-W. Wang, C.-J. Wang, W.-H. Li, C.-C. Yang, J. Sun, and J.W. Lynn,
J. Phys. Soc. Japan 80, SB013 (2011).
Antiferromagnetic Order and Superlattice Structure in Nonsuperconducting and Superconducting RbyFe1.6+xSe2,
M. Wang, M. Wang, G. N. Li, Q. Huang, C. H. Li, G. T. Tan, C. L. Zhang, H. B. Cao, W. Tian, Y. Zhao, Y. C. Chen, X. Y. Lu, B. Sheng, H. Q. Luo, S. L. Li, M. H. Fang, J. L. Zarestky, W. Ratcliff, M. D. Lumsden, J. W. Lynn, and P. Dai,
Phys. Rev. B 84, 094504 (2011).
* Low-temperature tunneling and rotational dynamics of the ammonium cations in (NH4)2B12H12,
N. Verdal, T.J. Udovic, J.J. Rush, V. Stavila, H. Wu, W. Zhou, and T. Jenkins,
J. Chem. Phys. 135, 094501 (2011).
* Phloroglucinol-bridged trinuclear complexes with three paramagnetic octahedral nickel(II) ions: Syntheses, crystal structures, and magnetic properties,
D. Plaul and W. Plass,
Inorg. Chim. Acta 374, 341 (2011).
Response of Acoustic Phonons to Charge and Orbital Order in the 50% doped Bilayer Manganite LaSr2Mn2O7,
F. Weber, S. Rosenkranz, J.P. Castellan, R. Osborn, D. Reznik, H. Zheng, J. F. Mitchell, Y. Chen, and J. W. Lynn,
Phys. Rev. Lett. 107, 207202 (2011).
* Iron(III)-pivalate-based complexes with tetranuclear {Fe4(μ3-O)2}8+ cores and n-donor ligands: Formation of cluster and polymeric architectures,
S.G. Baca, I.G. Filippova, T.D. Keene, O. Botezat, I.L. Malaestean, H. Stoeckli-Evans, V.C. Kravtsov, I. Chumacov, S.-X. Liu, and S. Decurtins,
Eur. J. Inorg. Chem. 2011, 356 (2011).
* Re-examining high abundance SDSS mass-metalliciry outliers: High N/O evolved Wolf-Rayet galaxies?,
D.A. Berg, E.D. Skillman, A.R. Marble,
Astrophys. J. 738,2 (2011).
Antiferromagnetic Spin Excitations in Single Crystals of Nonsuperconducting Li1?xFeAs,
M. Wang, X.C. Wang, D.L. Abernathy, L.W. Harriger, H. Q. Luo, Yang Zhao, J. W. Lynn, Q. Q. Liu, C. Q. Jin, C. Fang, J. Hu, and P. Dai,
Phys. Rev. B 83, 220515(R) (2011).
Local Weak Ferromagnetism in Single-Crystalline Ferroelectric BiFeO3,
M. Ramazanoglu, M. Laver, W. Ratcliff II, S. M. Watson, W. C. Chen, A. Jackson, K. Kothapalli, S. Lee, S.-W. Cheong, and V. Kiryukhin,
Phys. Rev. Lett. 107, 207206 (2011).
* A study of out-of-plane cation dynamics in a bis-thiourea pyridinium chloride inclusion compound,
A. Pajzderska, P. Czarnecki, J.P. Embs, M.A. Gonzalez, F. Juranyi, J. Krawczyk, B. Peplińska, and. J. Wąsicki,
Phys. Chem. Chem. Phys. 13, 8908 (2011).
* Pore with gate: modulating hydrogen storage in metal-oganic framework materials via cation exchange,
S. Yang, S.K. Callear, A.J. Ramirez-Cuestra, W.I.F. David, J. Sun, A.J. Blake, N.R. Champness, and M. Schröder,
Faraday Discussions, DOI: 10.1039/c1fd00006c (2011).
Coupling Between Field-induced Spin Fluctuations and Spin Density Wave in Intermetallic CeAg2Ge2,
D. K. Singh, A. Thamizhavel, S. Chang, J.W. Lynn, D. Joshi, S.K. Dhar, and S. Chi,
Phys. Rev. B 84, 052401 (2011).
* Effects of carrier doping on the formation and collapse of magnetic polarons in ligtly hole-doped La1-xSrxCoO3,
A. Podlesnyak, G. Ehlers, M. Frontzek, A.S. Sefat, A. Furrer, T. Strässle, E. Pomjakushina, K. Conder, F. Demmel, and D.I. Khomskii,
Phys. Rev. B 83, 134430 (2011).
* Redox-promoting protein motors in rubredoxin,
J.M. Borreguero, J. He, F. Meilleur, K.L. Weiss, C.M. Brown, D.A. Myles, K.W. Herwig, and P.K. Agarwal,
J. Phys. Chem. B 115, 8925 (2011).
Short range ordering in the modified honeycomb lattice compound SrHo2O4,
S. Ghosh, H.D. Zhou, L. Balicas, S. Hill, J.S. Gardner, Y. Qiu, and C.R. Wiebe,
J. Phys. Condens. Matter 23, 164203 (2011).
Dzyaloshinskii-Moriya Interaction and Spin Reorientation Transition in the Frustrated Kagome Lattice Antiferromagnet,
K. Matan, B. M. Bartlett, J. S. Helton, Y. Sikokenko, S. Matas, K. Prokes, Y. Chen, J. W. Lynn, D. Grohol, T. J. Sato, M. Tokunaga, D. G. Nocera, and Y. S. Lee,
Phys. Rev. B 83, 214406 (2011).
Mechanism of exchange striction of ferroelectricity in multiferroic orthorhombic HoMnO3,
N. Lee, Y.J. Choi, M. Ramazanoglu, W. Ratcliff II, V. Kiryukhkin, and S-W. Cheong,
Phys. Rev. B 84, 020101(R) (2011).
* Low-energy magnetic excitations in Co/CoO core/chell nanoparticles,
M. Feygenson, X. Teng, S.E. Inderhees, Y. Yiu, W. Du, W. Han, J. Wen, Z. Xu, A.A. Podlesnyak, J.L. Niedziela, M. Hagen, Y. Qiu, C.M. Brown, L. Zhang, and M.C. Aronson,
Phys. Rev. B 83, 174414 (2011).
Spin liquid state in the S=1/2 triangular lattice Ba3CuSb2O9,
H.D. Zhou, E.S. Choi, G. Li, L. Balicas, C.R. Wiebe, Y. Qiu, J.R.D. Copley, and J.S. Gardner,
Phys. Rev. Lett. 106, 147204 (2011).
HfFeGa2 and HfMnGa2: Transition-metal-based Itinerant Ferromagnets with low Curie Temperatures,
C. Marques, Y. Janssen, M. S. Kim, L. Wu, S. X. Chi, J. W. Lynn, and M. C. Aronson,
Phys. Rev. B 83, 184435 (2011).
* Dynamics of small-molecule glass formers confined in nanopores,
T.R. Prisk, M. Tyagi, and P.E. Sokol,
J. Chem. Phys. 134, 114506 (2011).
Quantum critical behavior in the heavy Fermion single crystal Ce(Ni0.935Pd0.065)2Ge2,
J. M. Lawrence, A. D. Christianson, S. Chang, E. D. Bauer, K. Gofryk, F. Ronning, J. D. Thompson, K. J. McClellan, J. A. Rodriguez, and J. W. Lynn,
J. Phys.: Conf. Series 273,012018 (2011).
Temperature-dependent properties of the magnetic order in single-crystal BiFeO3,
M. Ramazanoglu, W. Ratcliff II, Y.J. Choi, Seongsu Lee, S-W. Cheong, V. Kiryukhin,
Phys. Rev. B 83, 174434 (2011).
A neutron scattering study of hydrogen dynamics in coarse-grained and nanostructured ZrCr2H3,
A.V. Skripov, T.J. Udovic, J.J. Rush, and M.A. Uimin,
J. Phys. Condens. Matter 23, 65402 (2011).
Molecular Spin-Orbit Excitations in the Jeff = 1/2 Frustrated Spinel GeCo2O4,
K. Tomiyasu, M. K. Crawford, D. T. Adroja, P. Manuel, A. Tominaga, S. Hara, H. Sato, T. Watanabe, S. I. Ikeda, J. W. Lynn, K. Iwasa, and K. Yamada,
Phys. Rev. B 84, 054405 (2011).
Nanoconfinement and catalytic dehydrogenation of ammonia borane by magnesium-metal-organic-framework-74,
S. Gadipelli, J. Ford, W. Zhou, H. Wu, T.J. Udovic, and T. Yildirim,
Chem. Eur. J. 17, 6043 (2011).
* Hydrogen storage properties and neutron scattering studies of Mg2(dobcd)-a metal-organic framework with open Mg2+ adsorption sites,
K. Sumida, C.M. Brown, Z.R. Herm, S. Chavan, S. Bordiga, and J.R. Long,
Chem. Commun. 47, 1157 (2011).
Sodium magnesium amidoborane: the first mixed-metal amidoborane,
H. Wu, W. Zhou, F.E. Pinkerton, M.S. Meyer, Q. Yao, S. Gadipelli, T.J. Udovic, T. Yildirim, and J.J. Rush,
Chem. Commun. 47, 4102 (2011).
Soft Phonons and Structural Phase Transition in Superconducting Ba0.59K0.41BiO3,
H. J. Kang, Y.S. Lee, J. W. Lynn, S. V. Shiryaev and S. N. Barilo,
Physica C 471, 303 (2011).
* Reorientational dynamics of Dodecahydro-closo-dodecaborate anion in Cs2B12H12,
N. Verdal, T.J. Udovic, J.J. Rush, R.L. Cappelletti, and W. Zhou,
J. Phys. Chem. A 115, 2933 (2011).
Incommensurate Magnetism in FeAs Strips: Neutron Scattering from CaFe4As3,
Y. Nambu, L. L. Zhao, E. Morosan, K. Kim, G. Kotliar, P. Zajdel, M. A. Green, W. Ratcliff, J. A. Rodriguez-Rivera, and C. Broholm,
Phys. Rev. Lett. 106, 037201 (2011).
Nanoscale hydride formation at disloocations in palladium: Ab initio theory and inelastic neutron scattering measurements,
D.R. Trinkle, H. Ju, B.J. Heuser, and T.J. Udovic,
Phys. Rev. B 83 174116 (2011).
Neutron scattering studies of spin excitations in hole-doped Ba0.67K0.33Fe2As2 superconductor,
C. Zhang, M. Wang, H. Luo, M. Wang, M. Liu, J. Zhao, D. L. Abernathy, T. A. Maier, K. Marty, M. D. Lumsden, S. Chi, S. Chang, J. A. Rodriguez-Rivera, J. W. Lynn, T. Xiang, J. Hu, P. Dai,
Scientific Reports 1, 115 (2011).
Inelastic neutron scattering study of hydrogenated (Zr55Cu30Ni5Al10)99Y1 bulk metallic glass,
A. C.-P. Chuang, Y. Liu, T.J. Udovic, P.K. Liaw, G.-P. Yu, and J.-H. Huang,
Phys. Rev. B 83, 174206 (2011).
Alkali and alkaline-earth metal dodecahydro-closo-dodecaborates: Probing structural variations via neutron vibrational spectroscopy,
N. Verdal, W. Zhou, V. Stavila, J.-H. Her, M. Yousufuddin, T. Yildirim, T.J. Udovic,
J. Alloys Compds. 509, S694 (2011).
Nitrogen Contamination in Elastic Neutron Scattering,
S. Chi, J. W. Lynn, Y. Chen, W. Ratcliff II, B. G. Ueland, N. P. Butch, S. R. Saha, K. Kirshenbaum, and J. Paglione,
Meas. Sci. Technol. 22, 047001 (2011).
* Neutron scattering and spectroscopic studies of hydrogen adsorbtion in Cr3(BTC)2-A metal-organic framework with exposed Cr2+ sites,
K. Sumida, J.-H. Her, M. Dincă, L.J. Murray, J.M. Schloss, C.J. Pierce, B.A. Thompson, S.A. Fitzgerald, C.M. Brown, and J.R. Long,
J. Phys. Chem. C 115, 8414 (2011).
* Vibrational density of states of hydration water at biomolecular sites: Hydrophobicity promotes low density amorphous ice behavior,
D. Russo, J. Teixeira, L. Kneller, J.R.D. Copley, J. Ollivier, S. Perticaroli, E. Pellegrini, and M.A. Gonzalez,
J. Am. Chem. Soc. 133, 4882 (2011).
Magnetic field effect on the static antiferromagnetic order and spin excitations in the underdoped iron arsenide superconductor BaFe1.92Ni0.08As2,
M Wang, H. Luo, M. Wang, S. Chi, J. A. Rodriguez-Rivera, D. Singh, S. Chang, J. W. Lynn, and P. Dai,
Phys. Rev. B 83, 094516 (2011).
* Micro-channel development and hydrogen absorption properties in templated microporous carbons containing platinum nanoparticles,
Y. Yang, C.M. Brown, C. Zhao, A.L. Chaffee, B. Nick, D. Zhao, P.A. Webley, J. Schalch, J.M. Simmons, Y. Liu, J.-H. Her, C.E. Buckley, and D.A. Sheppard,
Carbon 49, 1305 (2011).
* Interrelationship between Li+ diffusion, charge, and magnetism in 7LiMn2O4 and 7Li1.1Mn1.9O4 spinels: Elastic, inelastic, and quasielastic neutron scattering,
K. Kamazawa, H. Nozaki, M. Harada, K. Kazuhiko, Y. Ikedo, K. Iida, T.J. Sato, Y. Qiu, M. Tyagi, and J. Sugiyama,
Phys. Rev. B 83, 094401 (2011).
* Molecular dynamics and neutron scattering study of glucose solutions confined in MCM-41,
A. Lerbret, G. Lelong, P.E. Mason, M.-L. Saboungi, and J.W. Brady,
J. Phys. Chem. B 115, 910 (2011).
/ ################ 2010 PUBLICATIONS ####################>
2010
(49 publications: 22 in text, 27 personal acknowledgments)
* Neutron scattering study of a quasi-two-dimansional spin-1/2 dimer system: Piperazinium hexachlorodicuprate under hydrostatic pressure,
T. Hong, C. Stock, I. Cabrera, C. Broholm, Y. Qiu, J.B. Leão, S.J. Poulton, and J.R.D. Copley,
Phys. Rev. B. 82, 184424 (2010).
* Localized diffusive motion on two different time scales in solid alkane nanoparticles,
S.-K. Wang, E. Mamontov, M. Bai, F.Y. Hansen, H. Taub, J.R.D. Copley, V. García Sakai, G. Gasparovic, T. Jenkins, M. Tyagi, K.W. Herwig, D.A. Neumann, W. Montfrooij, and U.G. Volkmann,
Europhys. Lett. 91, 66007 (2010).
* VLT/FLAMES-ARGUS observations of stellar wind-ISM cloud interactions in NGC 6357,
M.S. Westmoquette, J.D. Slavin, L.J. Smith, and J.S. Gallagher III,
Mon. Not. R. Astron. Soc. 402, 152-160 (2010).
* Low-temperature spin dynamics in the kagome system Pr3Ga5SiO14,
L.L. Lumata, T. Besara, P.L. Kuhns, A.P. Reyes, H.D. Zhou, C.R. Wiebe, L. Balicas, Y.J. Jo, J.S. Brooks, Y. Takano, M.J. Case, Y. Qiu, J.R.D. Copley, J.S. Gardner, K.Y. Choi, N.S. Dalal, and M.J.R. Hoch,
Phys. Rev. B 81, 224416 (2010).
* A low-temperature crossover in water dynamics in an aqueous LiCl solution: Diffusion probed by Neutron Spin-Echo and NMR,
E. Mamontov, A. Faraone, E.W. Hagaman, K.S. Han, and E. Fratini,
J. Phys. Chem. B 114, 16737 (2010).
* Hydrated {Mo72Fe30} clusters: Low-frequency hydrogen modes and self-aggregation,
E. Fratini, A. Faraone, A.M. Todea, and P. Baglioni,
Inorganica Chimica Acta 363, 4234 (2010).
* Phase separation and suppression of the structural and and magnetic transitions in superconducting doped iron tellurides: Fe1+xTe1-ySy,
P. Zajdel, P.-Y. Hsieh, E.E. Rodriguez, N.P. Butch, J.D. Magill, J. Paglione, P. Zavalij, M.R. Suchomel, and M.A. Green,
J. Am. Chem. Soc. 132, 13000 (2010).
* A VLT VIMOS integral-field spectroscopic study of perturbed bluecompact galaxies: UM 420 and UM462,
B.L. James, Y.G. Tsamis, and M.J. Barlow,
Mon. Not. R. Astron. Soc. 401, 759 (2010).
High-resolution neutron scattering study of Tb2Mo2O7: A geometrically frustrated spin glass,
G. Ehlers, J.E. Greedan, J.R. Stewart, K.C. Rule, P. Fouquet, A.L. Cornelius, C. Adriano, P.G. Pagliuso, Y. Qiu, J.S. Gardner,
(2010).
Inter- and intratrimer excitations in the multiferroic Ba3NbFe3Si2O14,
H.D. Zhou, Y. Barlas, C.R. Wiebe, Y. Qiu, J.R.D. Copley, and J.S. Gardner,
Phys. Rev. B 82, 132408 (2010).
Neutron scattering and scaling behavior in URu2Zn2O,
C.H. Wang, A.D. Christianson, J.M. Lawrence, E.D. Bauer, E.A. Goremychkin, A.I. Kolesnikov, F. Trouw, F. Ronning, J.D. Thompson, M.D. Lumsden, N. Ni, E.D. Mun, S. Jia, P.C. Canfield, Y. Qiu, and J.R.D. Copley,
Phys. Rev. B 82, 184407 (2010).
Ferromagnetically coupled Shastry-Sutherland quantum spin singlets in (CuCl)LaNb2O7,
C. Tassel, J. Kang, C. Lee, O. Hernandez, Y. Qiu, W. Paulus, E. Collet, B. Lake, T. Guidi, M.-H. Whangbo, C. Ritter, H. Kageyama, and S.-H. Lee,
Phys. Rev. Lett. 105, 167205 (2010).
Dynamic scaling in the susceptibility of the spin 1/2 Kagome lattice Antiferromagnet Herbertsmithite,
J.S. Helton, K. Matan, M.P. Shores, E.A. Nytko, B.M. Bartlett, Y. Qiu, D.G. Nocera, and Y.S. Lee,
Phys. Rev. Lett. 104, 147201 (2010).
Orbital order and partial electronic delocalization in a triangular magnetic metal Ag2MnO2,
S. Ji, E.J. Kan, M.-H. Whangbo, J.-H. Kim, Y. Qiu, M. Matsuda, H. Yoshida, Z. Hiroi, M.A. Green, T. Ziman, and S.-H. Lee,
Phys. Rev. B 81, 094421 (2010).
Coexisting Magnetic Order and Cooperative Paramagnetism in the Stuffed Pyrochlore Tb2+xTi2-2xNbxO7,
B.G. Ueland, J.S. Gardner, A.J. Williams, M.L. Dahlberg, J.G. Kim, Y. Qiu, J.R.D. Copley, P. Schiffer, and R.J. Cava,
Phys. Rev. B 81, 060408 (2010).
Spin fluctuations and orbital ordering in quasi-one-dimensional α-Cu(dca)2(pyz) {dca=dicyanamide=N(CN)2; pyz=pyrazine}, a molecular analogue of KCuF3,
J.L. Manson, T. Lancaster, S.J. Blundell, Y. Qiu, J. Singleton, P. Sengupta, F.L. Pratt, J. Kang, C. Lee, and M.-H. Whangbo,
Polyhedron 29, 514 (2010).
* Identifying the Specific Nanostructures Responsible for the High Thermoelectric Performance of (Bi,Sb)2Te3 Nanocomposites,
W. Xie, J. He, H.J. Kang, X. Tang, S. Zhu, M. Laver, S. Wang, J.R.D. Copley, C.M. Brown, Q. Zhang, and T.M. Tritt,
Nano Lett. 10, 3283 (2010).
* Experimental evidence of logarithmic relaxation in single-particle dynamics of hydrated protein molecules,
X.-q. Chu, M. Lagi, E. Mamontov, E. Fratini, P. Baglioni, and S.-H. Chen,
Soft Matter, 6, 2623 (2010).
* Effect of pH and Ibuprofen on the phospholipid bilayer bending modulus,
M.B. Boggara, A. Faraone, and R. Krishnamoorti,
J. Phys. Chem. B 114, 8061 (2010).
Doping dependence of spin dynamics in electron-doped Ba(Fe1-xCox)2As2,
K. Matan, S. Ibuka, R. Morinaga, S.X. Chi, J.W. Lynn, A.D. Christianson, M.D. Lumsden, and T.J. Sato,
Phys. Rev. B 82, 054515 (2010).
Antiferromagnetic crucial fluctuations in BaFe2As2,
S.D. Wilson, Z. Yamani, C.R. Rotundu, B. Freelon, P.N. Valdivia, E. Bourret-Courchesne, J.W. Lynn, S. Chi, T. Hong, and R.J. Birgeneau,
Phys. Rev. B 82, 144502 (2010).
Interplay between Fe and Nd magnetism in NdFeAsO single crystals,
W. Tian, W. Ratcliff II, J.W. Lynn, J.-Q. Yan, M.G. Kim, B. Jensen, K. Dennis, R.W. McCallum, T.A. Lograsso, R.J. McQueeney, A.I. Goldman, A. Kreyssig,
Phys. Rev. B 82, 060514(R) (2010).
Antiferromagnetic critical pressure in Uru2Si2 under hydrostatic conditions,
N.P. Butch, J.R. Jeffries, S.X. Chi, J.B. Leao, J.W. Lynn, and M.B. Maple,
Phys. Rev. B 82, 060408(R) (2010).
The pressure-temperature phase diagram of Uru2Si2 under hydrostatic conditions,
N.P. Butch, J.R. Jeffries, W.J. Evans, S. Chi, J.B. Leao, J.W. Lynn, S.V. Sinogeikin, J.J. Hamlin, D.A. Zocco, and M.B. Maple,
Mater. Res. Soc. Symp. Proc. 1264, Z10-03 (2010).
* Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal-organic framework (Fe-BTT) discovered via high-throughput methods,
K. Sumida, S. Hiroke, S.S. Kaye, Z.R. Herm, W.L. Queen, C.M. Brown, F. Grandjean, G.J. Long, A. Dailly, and J.R. Long,
Chem. Sci. 1, 184 (2010).
A new family of metal borohydride ammonia borane complexes: Synthesis, structures, and hydrogen storage properties,
H. Wu, W. Zhou, F.E. Pinkerton, M.S. Meyer, G. Srinivas, T. Yildirim, T.J. Udovic, and J.J. Rush,
J. Mater. Chem. 20, 6550 (2010).
* Analysis of the vibrational spectrum of dihydrazinium 5,5'-azotetrazolate dihydrate by electronic structure calculations,
J.A. Ciezak and S.F. Trevino,
J. Mol. Struct. 975, 23 (2010).
Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate,
V. Stavila, J.-H. Her, W. Zhou, S.-J. Hwang, C. Kim, L.A.M. Ottley, T.J. Udovic,
J. Sol. State Chem. 183, 1133 (2010).
Determination of the magnetic structure of Yb3Pt4 :k=0 local-moment antiferromagnet,
Y. Janssen, M.S. Kim, K.S. Park, L.S. Wu, C. Marques, M.C. Bennett, Y. Chen, J. Li, Q. Huang, J.W. Lynn, and M.C. Aronson,
Phys. Rev. B 81, 064401 (2010).
Absence of the hyperfine magnetic field at the Ru site in ferromagnetic rare-earth intermetallics,
D. Coffey, M. DeMarco, P.C. Ho, M.B. Maple, T. Sayles, J.W. Lynn, Q. Huang, S. Toorongian, and M. Haka,
Phys. Rev. B 81, 184404 (2010).
Effect of magnetic field on the spin resonance in FeTe0.5Se0.5 as seen via inelastic neutron scattering,
J. Wen, G. Xu, Z. Xu, Z.W. Lin, Q. Li, Y. Chen, S. Chi, G. Gu, and J.M. Tranquada,
Phys. Rev. B 81, 100513(R) (2010).
Interplay between the crystalline and magnetic structures in lightly Cr-Doped Bi0.37Ca0.63Mn0.96Cr0.04O2.99,
C.-C. Yang, W.-H. Li, C.-M. Wu, C.H.C. Li, J. Sun, and J.W. Lynn,
Inorg. Chem 49, 3297 (2010).
Cd-doping effects in Ce2MIn8 (M = Rh and Ir) heavy fermion compounds,
C. Adriano, C. Giles, E.M. Bittar, L.N. Coelho, F. de Bergevin, C. Mazzoli, L. Paolasini, W. Ratcliff, R. Bindel, J.W. Lynn, Z. Fisk, and P.G. Pagliuso,
arxiv:0912.4467v1 (2010).
Magnetic form factor of SrFe2As2: Neutron diffraction measurements,
W. Ratcliff II, P.A. Kienzle, J.W. Lynn, S. Li, P. Dai, G.F. Chen, and N.L. Wang,
Phys. Rev. B 81, 140502(R) (2010).
Electron-doping evolution of the low-energy spin excitations in the iron arsenide superconductor BaFe2?xNixAs2,
M. Wang, H. Luo, J. Zhao, C. Zhang, M. Wang, K. Marty, S. Chi, J.W. Lynn, A. Schneidewind, S. Li, and P. Dai,
Phys. Rev. B 81, 174524 (2010).
Lattice distortion and magnetic quantum phase transition in CeFeAs1-xPxO,
C. de la Cruz, H.Z. Hu, S. Li, Q. Huang, J.W. Lynn, M.A. Green, G.F. Chen, N.L. Wang, H.A. Mook, Q. Si, and P. Dai,
Phys. Rev. Lett. 104, 017204 (2010).
Neutron diffraction in a model itinerant metal near a quantum critical point,
D.A. Sokolov, M.C. Aronson, R. Erwin, J.W. Lynn, M.D. Lumsden, and S.E. Nagler,
arxiv:0807.3586v2 (2010).
Magnetic and structural properties of Ca(Fe1-xCox)2 and Ca(Ni1-xCox)2,
S. Jia, S. Chi, J.W. Lynn, and R.J. Cava,
Phys. Rev. B 81, 214446 (2010).
Short range magnetic correlations induced by La substitution in Ho1-xLaxMn2O5,
C.-W. Wang, C.-M. Wu, C.-Y. Li, S.K. Karna, C.-K. Hsu, C.H.C. Li, W.-H. Li, C.-C. Yu, C.-P. Wu, H. Chou, and J.W. Lynn,
J. Phys.: Condens. Matter 22, 246002 (2010).
Magnetic structure, magnetization, and magnetotransport properties of (Ba,Sr)M2+/-xT4-/+xO11 (M=Fe,Co; T=Ru,Ti),
L. Shlyk, B.G. Ueland, J.W. Lunn, Q. Huang, L.E. De Long, and S. Parkin,
Phys. Rev. B 81, 184415 (2010).
* Ionized gas in the starburst core and halo of NGC 1140,
M.S. Westmoquette, J.S. Gallagher III, and L. De Poitiers,
Mon. Not. R. Astron. Soc. 403, 1719 (2010).
* A molecular picture of motion in polyolefins,
E.K. Boland, J. Liu, and J.K. Maranas,
J. Chem. Phys. 132, 144901 (2010).
* Investigation of the behavior of ehtylene molecular films using high resolution adsorption isotherms and neutron scattering,
A.M. Barbour, M.T.F. Telling, and J.Z. Larese,
Langmuir 26, 8113 (2010).
* Reorientational dynamics of NaBH4 and KBH4,
N. Verdal, M.R. Hartman, T. Jenkins, D.J. DeVries, J.J. Rush, and T.J. Udovic,
J. Phys. Chem. C 114, 10027 (2010).
* Structure and mobility of PEO/LiClO4 solid polymer electrolytes filled with Al2O3 nanoparticles,
S.K. Fullerton-Shirey, and J.K. Maranas,
J. Phys. Chem. C 114, 9196 (2010).
* Introduction to Quasielastic Neutron Scattering,
J.P. Embs, F. Juranyi, and R. Hempelmann,
Z. Phys. Chem. 224, 5 (2010).
* Electronic structure and photophysics of pseudo-octahedral vanadium(III) oxo complexes,
K.R. Kittilstved and A. Hauser,
Coordination Chemistry Reviews 254, 2663 (2010).
* On the behaviour of water hydrogen bonds at biomolecular sites: Dependences on temperature and on network dimensionality,
D. Russo, J.R.D. Copley, J. Ollivier, and J. Teixeira,
J. Mol. Struct. 972, 81 (2010).
* Structure and water dynamics of aqueous peptide solutions in the presence of co-solvents,
C. Malardier-Jugroot, D.T. Bowron, A.K. Soper, M.E. Johnson, and T. Head-Gordon,
Phys. Chem. Chem. Phys. 12, 382 (2010).
/ ################ 2009 PUBLICATIONS ####################>
2009
(60 publications: 26 in text, 34 personal acknowledgments)
* The optical structure of the starburst galaxy M82. I. Dynamics of the disk and inner-wind,
M.S. Westmoquette, L.J. Smith, J.S. Gallagher III, G. Trancho, N. Bastian, and I.S. Konstantopoulos,
Astrophys. J. 696, 92 (2009).
* The internal kinematics of the HII galaxy II Zw 40,
V. Bordalo, H. Plana, and E. Telles,
Astrophys. J. 696, 1668 (2009).
* Two-dimensional Kagome correlations and field induced order in the ferromagnetic XY pyrochlore Yb2Ti2O7,
K.A. Ross, J.P.C. Ruff, C.P. Adams, J.S. Gardner, H.A. Dabkowska, Y. Qiu, J.R.D. Copley, and B.D. Gaulin,
Phys. Rev. Lett. 103, 227202 (2009).
* DAVE: A comprehensive software suite for the reduction, visualization, and analysis of low energy neutron spectroscopic data,
R.T. Azuah, L.R. Kneller, Y. Qiu, P.L.W. Tregenna-Piggott,C.M. Brown, J.R.D. Copley, and R.M. Dimeo,
J. Res. Natl. Inst. Stan. Technol. 114,341 (2009).
* Simple quantum visualizations using IDL,
R. Dimeo,
NIST Special Publication 1098 (2009).
* Neutron scattering evidence for isolated spin-1/2 ladders in (C5D12N)2CuBr4,
A.T. Savici, G.E. Granroth, C.L. Broholm, D.M. Pajerowski, C.M. Brown, D.R. Talham, M.W. Meisel, K.P. Schmidt, G.S. Uhrig, and S.E. Nagler,
Phys. Rev. B 80,094411 (2009).
* Observation of local thickness fluctuations in surfactant membranes using neutron spin echo,
M. Nagao,
Phys. Rev. E 80, 031606 (2009).
* Ferromagnetism in Co7(TeO3)4Br6: A byproduct of complex antiferromagnetic order and single-ion anisotropy,
M. Prester, I. Živković, O. Zaharko, D. Pajić, P. Tregenna-Piggott, and H. Berger,
(2009).
* Full fitting analysis of the relative intermediate form factor measured by neutron spin echo,
M. Nagao and H. Seto,
Physica B 404, 2603 (2009).
* Dynamics in multicomponent polyelectrolyte solutions,
S. Lee, V.R. Tirumala, M. Nagao, T. Tominaga, E.K. Lin, J.P. Gong, and W.-l. Wu,
Macromolecules 42, 1293 (2009).
* Time-of-flight spectroscopy at the NIST Center for Neutron Research,
J.R.D. Copley, C.M. Brown, and Y. Qiu,
Neutron News 20, Issue2, 28 (2009).
* Dynamics of polyrotaxane investigated by neutron spine echo,
K. Mayumi, M. Nagao, H. Endo, N. Osaka, M. Shibayama, and K. Ito,
Physica B 404, 2600 (2009).
Hydrogen in nonstoichiometric cubic niobium carbides: neutron vibrational spectroscopy and neutron diffraction studies,
A.V. Skripov, H. Wu, T.J. Udovic, Q. Huang, R. Hempelmann, A.V. Soloninin, A.A. Rempel, and A.I. Gusev,
J. Alloys Compds. 478, 68 (2009).
* Dynamics of water in voids between well-defined and densely packed spherical nanocages acting as polyprotic inorganic acids,
A. Faraone, E. Fratini, A.M. Todea, B. Krebs, A. Müller, and P. Baglioni,
J. Phys. Chem. C 113, 8635 (2009).
Hydration water dynamics near biological interfaces,
M.E. Johnson, C. Malardier-Jugroot, R.K. Murarka, and T. Head-Gordon,
J. Phys. Chem. B 113, 4082 (2009).
A molecular view of dynamic responses when mixing poly(ethylene oxide) and poly(methyl methacrylate),
C. Chen and J.K. Maranas,
Macromolecules 42, 2795 (2009).
Reassessment of the Burns temperature and its relationship to diffuse scattering, lattice dynamics, and thermal expansion in relaxor PbMg1/3Nb2/3O3,
P.M. Gehring, H. Hiraka, C. Stock, S.-H. Lee, W. Chen, Z.-G. Ye, S.B. Vakrushev, and Z. Chowdhuri,
Phys. Rev. B 79, 224109 (2009).
* The impact of hydration water on the dynamics of side chains of hydrophobic peptides: From dry powder to highly concentrated solutions,
D. Russo, J. Teixeira, and J. Ollivier,
J. Chem. Phys. 130, 235101 (2009).
* Single particle dynamics of water confined in a hydrophobically modified MCM-41-S nanoporous matrix,
A. Faraone, K.-H. Liu, C.-Y. Mou, Y. Zhang, and S.-H. Chen,
J. Chem. Phys. 130, 134512 (2009).
* Direct analysis of the ion-hopping process associated with the α-relaxation in perfluorosulfonate ionomers using quasielastic neutron scattering,
K.A. Page, J.K. Park, R.B. Moore, and V. García Sakai,
Macromolecules 42, 2729 (2009).
* Effect of LiClO4 on the structure and mobility of PEO-based solid polymer electrolytes,
S.K. Fullerton-Shirey, and J.K. Maranas,
Macromolecules 42,2142 (2009).
* Bending elasticity of saturated and unsaturated phospholipid membranes studied by the neutron spin echo technique,
Z. Yi, M. Nagao, and D.P. Bossev,
J. Phys.:Condens. Matter 21, 155104 (2009).
* Adsorption and melting of hydrogen in potassium-intercalated graphite,
J.J. Purewal, J.B. Keith, C.C. Ahn, and B. Fultz,
Phys. Rev. B 79, 054305 (2009).
* Single-ion anisotropy and exchange interactions in the cyano-bridged trimers MnM(CN) (M = Co, Cr, Fe) species incorporating [Mn(5-Brsalen)] units: An inelastic neutron scattering and magnetic susceptibility study,
P.L.W. Tregenna-Piggott, D. Sheptyakov, L. Keller, S.I. Klokishner, S.M. Ostrovsky, A.V. Palii, O.S. Reu, J. Bendix, T. Brock-Nannestad, K. Pederson, H. Weihe, and H. Mutka,
Inorg. Chem. 48, 128 (2009).
* A VLT VIMOS study of the anamolous BCD Mrk 996: mapping the ionised gas kinematics and abundances,
B.L. James, Y.G. Tsamis, M.J. Barlow, M.S. Westmoquette, J.R. Walsh, F. Cuisinier, and K.M. Exter,
Mon. Not. R. Astron. Soc. 398, 2 (2009).
* Neutron scattering measurements of the phonon density of states of FeSe1-x superconductors,
D. Phelan, J.N. Millican, E.L. Thomas, J.B. Leão, Y. Qiu, and R. Paul,
Phys. Rev. B. 79, 014519 (2009).
* Study of hydrogen diffusion in superprotonic ionic conductors, MHXO4, by µ+SR and QENS,
Y. Ikedo, H. Nozaki, M. Harada, J. Sugiyama, T.J. Sato, Y. Matsuo, K. Nishiyama, J.S. Lord, Y. Qiu, J.R.D. Copley,
Nucl. Instrum. Meth. A 600, 316 (2009).
* Revisiting static and dynamic spin-ice correlations in Ho2Ti2O7 with neutron scattering,
J.P. Clancy, J.P.C. Ruff, S.R. Dunsiger, Y. Zhao, H.A. Dabkowska, J.S. Gardner, Y. Qiu, J.R.D. Copley, T. Jenkins, and B.D. Gaulin,
Phys. Rev. B 79, 14408 (2009).
Role of cation size on the structural behavior of the alkali-metal dodecahydro-closo-dodecaborates,
J.-H. Her, W. Zhou, V. Stavila, C.M. Brown, and T.J. Udovic,
J. Phys. Chem. C 113, 11187 (2009).
Crystal chemistry and dehydrogenation/rehydrogenation properties of Perovskite hydrides RbMgH3 and RbCaH3,
H. Wu, W. Zhou, T.J. Udovic, J.J. Rush, and T. Yildirim,
J. Phys. Chem. C 113, 15091 (2009).
Quasielastic neutron scattering study of hydrogen motion in NbC0.71H0.28,
A.V. Skripov, T.J. Udovic, J.C. Cook, R. Hempelmann, A.A. Rempel, and A.I. Gusev,
J. Phys.: Condens. Matter 21, 175410 (2009).
Tunable (δπ,δπ)-type antiferromagnetic order in α-Fe(Te,Se) superconductors,
W. Bao, Y. Qiu, Q. Huang, M.A. Green, P. Zajdel, M.R. Fitzsimmons, M. Zhernenkov, S. Chang, M. Fang, B. Qian, E.K. Vehstedt, J. Yang, H.M. Pham, L. Spinu, and Z.Q. Mao,
Phys. Rev. Lett. 102, 247001 (2009).
Temperature, magnetic field, and pressure dependence of the crystal and magnetic structures of the magnetocaloric compound Mn1.1Fe0.9(P0.8Ge0.2),
D.M. Liu, Q.Z. Huang, M. Yue, J.W. Lynn, L.J. Liu, Y. Chen, Z.H. Wu, and J.X. Zhang,
Phys. Rev. B 80, 174415 (2009).
Magnetic-field control of charge structures in the magnetically disordered phase of multiferroic LuFe2O4,
J. Wen, G. Xu, G. Gu, and S.M. Shapiro,
Phys. Rev. B 80, 020403 (2009).
Neutron studies of the iron-based family of high TC magnetic superconductors,
J.W. Lynn and P. Dai,
Physica C 469, 469 (2009).
Neutron diffraction in a model itinerant metal near a quantum critical point,
D.A. Sokolov, M.C. Aronson, R. Erqin, J.W. Lynn, M.D. Lumsden, and S.E. Nagler,
25th International Conference on Low Temperature Physics Journal of Physics: Conference Series 150, 042189 (2009).
3:1 magnetization plateau and suppression of ferroelectric polarization in an Ising chaing multiferroic,
Y.J. Jo, S. Lee, E.S. Choi, H.T. Yi, W. Ratcliff II, Y.J. Choi, V. Kiryukhin, S.W. Cheong, and L. Balicas,
Phys. Rev. B 79, 012407 (2009).
Chemical pressure induced spin freezing phase transition in Kagome Pr langasites,
H.D. Zhou, C.R. Wiebe, Y.-J. Jo, L. Balicas, R.R. Urbano, L.L. Lumata, J.S. Brooks, P.L. Kuhns, A.P. Reyes, Y. Qiu, J.R.D. Copley, and J.S. Gardner,
Phys. Rev. Lett. 102, 067203 (2009).
Soft phonon columns on the edge of the Brillouin zone in the relaxor PbMg1/3Nb2/3O3,
I.P. Swainson, C. Stock, P.M. Gehring, G. Xu, K. Hirota, Y. Qiu, H. Luo, X. Zhao, J.-F. Li, and D. Viehland,
Phys. Rev. B 79, 224301 (2009).
Proteins remain soft at lower temperatures under pressure,
X.-q. Chu, A. Faraone, C. Kim, E. Fratini, P. Baglioni, J.B. Leão, and S.-H. Chen,
J. Phys. Chem. B Letters 113, 5001 (2009).
Fast dynamics of semiflexible chain networks of self-assembled peptides,
M.C. Branco, F. Nettesheim, D.J. Pochan, J.P. Schneider, and N.J. Wagner,
Biomacromolecules 10, 1374 (2009).
* The optical structure of the starburst galaxy M82. II. Nebular properties of the disk and inner wind,
M.S. Westmoquette, J.S. Gallagher, L.J. Smith, G. Trancho, N. Bastian, and I.S. Konstantopoulos,
Astrophys. J. 706, 1571 (2009).
Commensurate magnetic structure of CeRhIn4.85Hg0.15,
W. Bao, Y.C. Gasparovic, J.W. Lynn, F. Ronning, E.D. Bauer, J.D. Thompson, and Z. Fisk,
Phys. Rev. B 79, 092415 (2009).
Rotational bands in open antiferromegnetic rings: A neutron spectroscopy study of Cr8Zn,
A. Bianchi, S. Caretta, P. Santini, G. amoretti, T. Guigi, Y. Qiu, J.R.D. Copley, G. Timco, C. Muryn, and R.E.P. Winpenny,
Phys. Rev. B 79, 144422 (2009).
Synthesis and magnetic characterization of TmCo2B2C,
M. ElMassalami, R.E. Rapp, F.A.B. Chaves, R. Moreno, H. Takeya, B. Ouladdiaf, J.W. Lynn, Q. Huang, R.S. Freitas, and N. F. Oliveria Jr.,
J. Phys.: Condens. Matter 21, 046007 (2009).
Lattice collapse and quenching of magnetism in CaFe2As2 under pressure: A single-crystal neutron and x-ray diffraction investigation,
A.I. Goldman, A. Kreyssig, K. Prokeš, D.K. Pratt, D.N. Argyriou, J.W. Lynn, S. Nandi, S.A.J. Kimber, Y. Chen, Y.B. Lee, G. Samolyuk, J.B. Leão, S.J. Poulton, S.L. Bud'ko, N. Ni, P.C. Canfield, B.N. Harmon, and R.J. McQueeney,
Phys. Rev. B 79, 024513 (2009).
Spin gap and magnetic resonance in superconducting BaFe1.9Ni0.1As2,
S. Li, Y. Chen, S. Chang, J.W. Lynn, L. Li, Y. Luo, G. Cao, Z. Xu, and P. Dai,
Phys. Rev. B 79, 174527 (2009).
First-order magnetic and structureal phase transitions in Fe1+ySexTe1-x,
S. Li, C. de la Cruz, Q. Huang, Y. Chen, J.W. Lynn, J. Hu, Y.-L. Huang, F.-C. Hsu, K.-W. Yeh, M.-K. Wu, and P. Dai,
Phys. Rev. B 79, 054503 (2009).
Antiferromagnetism in the magnetoelectric effect single crystal LiMnPO4,
J. Li, W. Tian, Y. Chen, J.L. Zaretsky, J.W. Lynn, and D. Vaknin,
Phys. Rev. B 79, 144410 (2009).
Tweaking the spin-wave disperson and suppressing the incommensurate phase in LiNiPO4 by iron substitution,
J. Li, T.B.S. Jensen, N.H. Andersen, J.L. Zarestky, R.W. McCallum, J.-H. Chung, J.W. Lynn, and D. Vaknin,
Phys. Rev. B 79, 174435 (2009).
Origin and tuning of the magnetocaloric effect in the magnetic refrigerant Mn1.1Fe0.9(P0.8Ge0.2),
D. Liu, M. Yue, J. Zhang, T.M. McQueen, J.W. Lynn, X. Wang, Y. Chen, J. Li, R.J. Cava, X. Liu, Z. Altounian, and Q. Huang,
Phys. Rev. B 79, 014435 (2009).
Intrinsic localized modes observed in the high-temperature vibrational spectrum of NaI,
M.E. Manley, A.J. Sievers, J.W. Lynn, S.A. Kiselev, N.I. Agladze, Y. Chen, A. Llobet, and A. Alatas,
Phys. Rev. B 79, 134304 (2009).
Phonon softening and anamolous mode near the xc=0.5 quantum critical point in Ca2-xSrxRuO4,
R.G. Moore, M.D. Lumsden, M.B. Strone, J. Zhang, Y. Chen, J.W. Lynn, R. Jin, D. Mandrus, and E.W. Plummer,
Phys. Rev. B 79, 172301 (2009).
Magnetic structure of the high-density single-valent eg Jahn-Teller system LaMn7O12,
A. Prodi, E. Gilioli, R. Cabassi, F. Bolzoni, F. Licci, Q. Huang, J.W. Lynn, M. Affronte, A. Gauzzi, and M. Marezio,
Phys. Rev. B 79, 085105 (2009).
Hydrogen trapping at dislocations in palladium at low temperature: Results from inelastic neutron scattering and advanced computations,
B.J. Heuser, H. Ju, D.R. Trinkle, and T.J. Udovic,
Proceedings of the 2008 International Hydrogen Conference (B. Somerday, P. Sofronis, and R. Jones, eds.) ASM International, p. 464-468 (2009).
Crystal chemistry and dehydrogenation/rehydrogrenation properties of perovskite hydrides RbMgH3,
H. Wu, W. Zhou, T.J. Udovic, J.J. Rush, and T. Yildirim,
J. Phys. Chem. C 113, 15091 (2009).
Characterization of fly ash reactivity in hydrating cement by neutron scattering,
W. Bumrongjaroen, R.A. Livingston, D.A. Neumann, and A.J. Allen,
J. Mater. Res. 24, 2435 (2009).
Role of cation size on the structural behavior of the alkali-metal dodecahydro-closo-dodecaborates,
J.-H. Her, W. Zhou, V. Stavila, C. M. Brown, and T. J. Udovic,
J. Phys. Chem. C 113, 11187 (2009).
Crystal structure, neutron vibrational spectroscopy, and DFT calculations of Li2B12H12-4H2O,
M. Yousufuddin, J.-H. Her, W. Zhou, S. S. Jalisatgi, and T. J. Udovic,
Inorg. Chim. Acta 362, 3155 (2009).
* Hydrogen absorption in HKUST-1: A combbined inelstic neutron scattering and first-principles study,
C. M. Brown, Y. Liu, T. Yildirim, V. K. Peterson, and C. J. Kepert,
Nanotechnology 20, 204025 (2009).
/ ################ 2008 PUBLICATIONS ####################>
2008
(66 publications: 21 in text, 45 personal acknowledgments)
* "Spectral Fingerprint Identification for Whole Cube Identification", Imaging Spectroscopy XIII,
C.C. Wamsley and P.G. Raeth,
Edited by S.S. Shen and P.E. Lewis, Proceedings of SPIE Vol. 7086, 70860Q-1 (2008).
* Reduction of data from inverted-geometry time-of-flight instruments,
P.L.W. Tregenna-Piggott, F. Juranyi, P. Christiansen, P.K. Willendrup, and K. Leffmann,
J. Neutron Res. 16, 13 (2008).
* Introducing the inverted-geometry time-of-flight backscattering instrument, MARS at SINQ,
P.L.W. Tregenna-Piggott, F. Juranyi, and P. Allenspach,
J. Neutron Res. 16, 1 (2008).
Polaron formation in the optimally doped ferromagnetic manganites La0.7Sr0.3MnO3 and La0.7Ba0.3MnO3,
Y. Chen, B.G. Ueland, J.W. Lynn, G.L. Bychkov, S.N. Barilo, and Y.M. Muskovskii,
Phys. Rev. B 78, 212301 (2008).
Spin correlations in the geometrically frustrated pyrochlore Tb2Mo2O7,
D.K. Singh, J.S. Helton, S. Chu, T. Han, C. Bonnoit, S. Chang, H.J. Kang, J.W. Lynn, and Y.S. Lee,
Phys. Rev. B 78 220405 (2008).
Spin dynamics in the magnetoelectric effect LiCoPO4 compoint,
W. Tian, J. Li, J.W. Lynn, J.L. Zarestky, and D. Vaknin,
Phys. Rev. B 78, 184429 (2008).
Quasi-free methyl rotation in zeolytic imadazolate framework-8,
W. Zhou, H. Wu, T.J. Udovic, J.J. Rush, and T. Yildirim,
J. Phys. Chem. A 112, 12602 (2008).
Molecular H2 trapped in AlH3 solid,
L. Senadheera, E.M. Carl, T.M. Ivancic, M.S. Conradi, R.C. Bowman Jr., S.-J. Hwang and T.J. Udovic,
J. Alloys Compounds 463,1 (2008).
Vibrational density of states measurement of hydrogen trapped at islocations in deformed PdH0.0008,
B.J. Heuser, T.J. Udovic, H. Ju,
Phys. Rev. B 78, 214101 (2008).
* Inelastic neutron scattering from confined molecular oxygen,
D. Kilburn, P.E. Sokol, and C.M. Brown,
Phys. Rev. B 78, 132410 (2008).
* Spin waves and quantum criticality in the frustrated XY pyrochlore antiferromagnet Er2Ti207,
J.P.C. Ruff, J.P. Clancy, A. Bourque, M.A. White, M/ Ramazanoglu, J.S. Gardner, Y. Qiu, J.R.D. Copley, M.B. Johnson, H.A. Dabkowska, and B.D. Gaulin,
Phys. Rev. Lett. 101, 147205 (2008).
* Neutron scattering study of the excitation spectrum of solid helium at ultra-low temperatures,
E. Blackburn, J.M. Goodkind, S.K. Sinha, C. Broholm, J.R.D. Copley, and R.W. Erwin,
Journal of Physics 71, 673 (2008).
* Molecular dynamics in DTGS(ND3) by quasielastic and inelastic neutron scattering,
V. Tripadus, D. Aranghel, M. Statescu, and A. Buchsteiner,
Chem. Phys. 353, 59 (2008).
* Bending modulus of lipid bilayers in a liquid-crystalline phase including an anomolous swelling regime estimated by neutron spin echo experiments,
H. Seto, N.L. Yamada, M. Nagao, M. Hishida, and T. Takeda,
Eur. Phys. J. E 26, 217 (2008).
Impact of oxygen annealing on the heat capacity and magnetic resonance of superconducting Pr0.88LaCe0.12CuO4-δ,
S. Li, S. Chi, J. Zhao, H.-H. Wen, M. B. Stone, J. W. Lynn, and P. Dai,
Phys. Rev. B 78, 014520 (2008).
Raman, FTIR, photoacoustic-FTIR and inelastic neutron scattering spectra of alkaline earth and lanthanide salts of hexahydridoruthenate(II), A2RuH6, (A=Ca, Sr, Eu) and their deuterides,
M. Barsan, D. Gilson, I. Butler, R. Moyer Jr., W. Zhou, H. Wu, and T.J. Udovic,
J. Phys. Chem. A 112,6936 (2008).
Dynamic spin ice: Pr2Sn2O7,
H.D. Zhou, C.R. Wiebe, J.A. Janik, L. Balicas, Y.J. Yo, Y. Qiu, J.R.D. Copley, and J.S. Gardner,
Phys. Rev. Lett. 101, 227204 (2008).
Specific heat and magnetic susceptibility of the spinels GeNi2O4 and GeCo2O4,
J.C. Lashley, R. Stevens, M.K. Crawford, J. Boerio-Goates, B.F. Woodffield, Y. Qiu, J.W. Lynn, P.A. Goddard, and R.A. Fisher,
Phys. Rev. B. 78, 104406 (2008).
External magnetic field effects on a distorted kagome antiferromagnet,
J.-H. Kim, S. Ji, S.-H. Lee, B. Lake, T. Yildirim, H. Nojiri, H. Kikuchi, K. Habicht, Y. Qiu, and K. Kiefer,
Phys. Rev. Lett. 101, 107201 (2008).
Quantum oscillations of the total spin in a heterometallic antiferromagnetic ring,
T. Guigi, S. Carretta, P. Santini, G. Amoretti, R. Caciuffo, A. Hiess, J.R.D. Copley, Y. Qiu, G. Timco, and R.E.P. Winpenny,
Notiziario Neutroni e Luce di Sincrotrone 13 (2),4 (2008).
Inelastic neutron scattering investigations of molecular nanomagnets,
G. Amoretti, R. Caciuffo, S. Carretta, T. Guidi, N. Magnani, and P. Santini,
Inorganica Chimica Acta 361, 3771 (2008).
Crystal structure of Li2B12H12: a possible intermediate species in the decompoition of LiBH4,
J.-H. Her, M. Yousufuddin, W. Zhou, S. S. Jalisatgi, J. G. Kulleck, J. A. Zan, S.-J. Hwang, R. C. Bowman, Jr., and T. J. Udovic,
Inorg. Chem. 47,9757 (2008).
A reversible structure transition of MIL-53 with temperature hysteresis,
Y. Liu, J.-H. Her, A. Dailly, A.J. Ramirez-Cuesta, D.A. Neumann, and C.M. Brown,
J. Am. Chem. Soc. 130, 11813 (2008).
* Aqueous peptides as experimental models for hydration water dynamics near protein surfaces,
C. Malardier-Jugroot, M.E. Johnson, R.K. Murarka, and T. Head-Gordon,
Phys. Chem. Chem. Phys. 10, 4903 (2008).
Structural studies of decomposition in Fe-x at.%Ga alloys,
H. Cao, F. Bai, J.F. Li, D.D. Viehland, T.A. Lograsso, and P.M. Gehring,
J. Alloys Compounds 465,244 (2008).
Single ferroelectric and chiral magnetic domain of single-crystalline BiFeO3 in an electric field,
S. Lee, T. Choi, W. Ratcliff II, R. Erwin, S.-W. Cheong, and V. Kiryukhin,
Phys. Rev. B 78, 100101(R) (2008).
Observation of a continuous phse transition in a shape-memory alloy,
J.C. Lashley, S.M. Shapiro, B.L. Winn, C.P. Opeil, M.E. Manley, A. Alatas, W. Ratclisff, T. Park, R.A. Fisher, B. Mihaila, P. Riseborough, E.K.H. Salje, and J.L. Smith,
Phys. Rev. Lett. 101, 135703 (2008).
Formation of pancakelike Ising domains and giant magnetic coercivity in ferrimagnetic LuFe2O4,
W. Wu, V. Kiryukhin, H.-J. Noh, K. -T. Ko, J.-H. Park, W. Ratcliff II, P.A. Sharma, N. Harrison, Y.J. Choi, Y. Horibe, S. Lee, S. Park, H.T. Yi, C.L. Zhang, and S.-W. Cheong,
Phys. Rev. Lett. 101, 137203 (2008).
Electric field control, of the magnetic state in BiFeO3 single crystals,
S. Lee, W. Ratcliff, S.W. Cheong, et al.,
Appl. Phys. Lett. 92, 192906 (2008).
Low energy spin waves and magnetic interactions in SrFe2As2,
J. Zhao, D.-X. Yao, S. Li, T. Hong, Y. Chen, S. chang, W. Ratcliff II, J.W. Lynn, H.A. Mook, G.F. Chen, J.L. Luo, N.L. Wang, E.W. Carlson, J. Hu and P. Dai,
Phys. Rev. Lett. 101, 167203 (2008).
Neutron powder diffraction study of the magnetic and crystal structures of SrFe2(PO4)2,
A. A. Belik, Q. Huang, E. Takayama-Muromachi, and J. W. Lynn,
J. Solid State Chem. 181, 2292 (2008).
Quantum phase transition in the itinerant antiferromagnet (V0.9Ti0.1)2O3,
H. Kadowaki, K. Motoya, T.J. Sato, J. W. Lynn, J.A. Fernandez-Baca, and J. Kikuchi,
Phys. Rev. Lett. 101, 096406 (2008).
Signature of magnetic phase separation in the ground state of Pr1-xCaxMnO3,
H. Sha, F. Ye, P. Dai, J. A. Fernandez-Baca, D. Mesa, J.W. Lynn, Y. Tomioka, Y. Tokura, and J. Zhang,
Phys. Rev. B 78, 052410 (2008).
Doping evolution of antiferromagnetic order and structural distortion in LaFeAsO1-xFx,
Q. Huang, J. Zhao, J. W. Lynn, G. F. Chen, J. L. Lou, N.L. Wang, and P. Dai,
Phys. Rev. B 78,054529 (2008).
Magnetic switching and phase competition in the multiferroic antiferromagnet Mn,sub>1-xFexWO4,
F. Ye, Y. Ren, J.A. Fernandez-Baca, H.A. Mook, J.W. Lynn, R.P. Chaudhury, Y.-Q. Wang, B. Lorenz, and C.W. Chu,
Phys. Rev. B 78, 193101 (2008).
The crystalline electric field as a probe for long range antiferromagnetic order and superconductivity in CeFeAsO1-xFx,
S. Chi, D.T. Adroja, T. Guidi, R. Bewley, S. Li, J. Zhao, J.W. Lynn, C.M. Broen, Y. Qiu, G.F. Chen, J.L. Lou, N.L. Wang, and P. Dai,
Phys. Rev. Lett. 101, 217002 (2008).
Structural and magnetic phase diagram of CeFeAsO1-xFx and its relationship to high-temperature superconductivity,
J. Zhao, Q. Huang, C. de la Cruz, S. Li, J.W. Lynn, Y. Chen, M.A. Green, G.F. Chen, G. Li, Z.C. Li, J.L. Luo, N.L. Wang, and P. Dai,
Nature Materials 7, 953 (2008).
Pressure-induced colume-collapsed tetragonal phase of CaFe2As2 as seen via neutron scattering,
A. Kreyssig, M.A. Green, Y.B. Lee, G.D. Samolyuk, P. Zajdel, J.W. Lynn, S.L. Bud'ko, M.S. Torikachvili, N. Ni, S. Nandi, J. Leão, S.J. Poulton, D.N. Argyriou, B.N. Harmon, P.C. Canfield, R.J. Mcqueeney, and A.I. Goldman,
Phys. Rev. B 78,184517 (2008).
Unconventional spin order in the triangular lattice system NaCrO2: A neutron scattering study,
D. Hsieh, D. Qian, R.F. Berger, R.J. Cava, J.W. Lynn, Q. Huang, and M.Z. Hasan,
Physica B 403, 1341 (2008).
The pressure effect on the magnetic commensurability and ferroelectricity in multiferroic HoMn2O5,
C. R. dela Cruz, B. Lorenz, W. Ratcliff, J. Lynn, M. M. Gospodinov, and C. W. Chu,
Physica B 403, 1359 (2008).
Intrinsically localized mode in α-uranium as a precursor to a solid-state phase transition,
M. E. Manley, J. W. Lynn, Y. Chen, and G. H. Lander,
Phys. Rev. B 77, 052301 (2008).
Inelastic neutron scattering study of crystal field levels in PrOs4As12,
S. Chi, P. Dai, T. Barnes, H. J. Kang, J. W. Lynn, R. Bewley, F. Ye, M. B. Maple, Z. Henkie, and A. Pietraszko,
Phys. Rev. B 77, 094428 (2008).
Active creation of intrinsically localized vibrations in uranium using x-ray and neutron scattering,
M. E. Manley, A. Alatas, F. Trouw, W. L. Hults, B. Leu, J. W. Lynn, and Y. Chen,
Phys. Rev. B 77, 214305 (2008).
Structural and magnetic properties of the Ho2Ge2O7 pyrogermanate,
E. Morosan, J. A. Fleitman, Q. Huang, J. W. Lynn, Y. Chen, X. Ke, M. L. Dahlberg, P. Schiffer, C. R. Craley and R. J. Cava,
Phys. Rev. B 77, 224423 (2008).
Origin of the spin-valve effect and magnetoresistivity in single crystalline Ca3Ru2O7,
W. Bao, Z. Q. Mao, Z. Qu, and J. W. Lynn,
Phys. Rev. Lett. 100, 247203 (2008).
Neutron-scattering study of the oxypnictide superconductor LaFeAsO0.87F0.13,
Y. Qiu, M. Kofu, W. Bao, S.-H. Lee, Q. Huang, T. Yildirim, J.R.D. Copley, J.W. Lynn, T. Wu, G. Wu, and X.H. Chen,
Phys. Rev. B 78, 052508 (2008).
Field-induced antiferromagnetism and competition in the metamagnetic state of terbium gallium garnet,
K. Kamazawa, D. Louca, R. Morinaga, T.J. Sato, Q. Huang, J.R.D. Copley, and Y. Qiu,
Phys. Rev. B 78, 064412 (2008).
Structure variations and hydrogen storage properties of Ca5Si3 with Cr5B3-type structure,
H. Wu, W. Zhou, T. J. Udovic, and J. J. Rush,
Chem. Phys. Lett. 460,432 (2008).
The design of a bismuth-based auxiliary filter for the removal of spurious backgroudd scattering associated with filter-analyzer neutron spectrometers,
T.J. Udovic, C.M. Brown, J.B. Leão, P.C. Brand, R.D. Jiggetts, R. Zeitoun, T.A. Pierce, I. Peral, J.R.D. Copley, Q. Huang, D.A. Neumann, and R.J. Fields,
Nucl. Instr. Meth. A588, 406 (2008).
Structures and crystal chemistry of Li2BNH6 and Li4BN3H10,
H. Wu, W. Zhou, T.J. Udovic, J.J. Rush and T. Yildirim,
Chem. Mater. 20, 1245 (2008).
Crystal chemistry of Perovskite-type hydride NaMgH3: Implications for hydrogen storage,
H. Wu, W. Zhou, T.J. Udovic, J.J. Rush and T. Yildirim,
Chem. Mater. 20, 2335 (2008).
Increasing the density of adsorbed hydrogen with coordinatively unsaturated metal centers in metal-organic frameworks,
Y. Liu, H. Kabbour, C.M. Brown, D.A. Neumann, and C.C. Ahn,
Langmuir 24, 4772 (2008).
Hydrogen adsorption in MOF-74 studied by inelastic neutron scattering,
Y. Liu, C.M. Brown, D.A. Neumann, H. Kabbour, and C.C. Ahn,
Life Cycle Analysis for New Energy Conversion and Storage Systems, edited by V.M. Fthenakia, A.C. Dillon, and N. Savage (Mater. Res. Soc. Symp. Proc. Vol. 1041E, Warrendale, PA, 2008), 1040-R2_03 (2008).
* Concentration dependence of shape and structure fluctuations of droplet microemulsions investigated by neutron spin echo spectroscopy,
M. Nagao and H. Seto,
Phys. Rev. E 78, 011507 (2008).
* The impact of kosmotropes and chaotropes on bulk and hydration shell water dynamics in a model peptide solution,
D. Russo,
Chem. Phys. 345, 200 (2008).
* The origin of the dynamic transition in proteins,
S. Khodadadi, S. Pawlus, J.H. Roh,V. García Sakai, E. Mamontov, and A.P. Sokolov,
J. Chem. Phys. 128, 195106 (2008).
* Comparison of explicit atom, united atom, and course-grained simulations of poly(methyl methacrylate),
C. Chen, P. Depa, V. García Sakai, and J.K. Maranas,
J. Chem. Phys. 128, 124906 (2008).
* Quasielastic neutron scattering of -NH3 and -BH3 rotational dynamics in orthorhombic ammonia borane,
N.J. Hess, M.R. Hartman, C.M. Brown, E. Mamontov, A. Karkamkar, D.J. Heldebrant, L.L. Daemen, T. Autrey,
Chem. Phys. Lett. 459, 85 (2008).
* Dynamics of PEO in blends with PMMA: study of the effects of blend composition via quasi-elastic neutron scattering,
V. García Sakai, J.K. Maranas, I. Peral, and J.R.D. Copley,
Macromolecules 41, 3701 (2008).
* Microlensing in binary systems,
D. Ricci,
Proceedings of the Manchester Microlensing Conference: The 12th International Conference and ANGLES Microlensing Workshop, PoS(GMC8)031 (2008).
Magnetic order close to superconductivity in the iron-based layered LaO1-xFxFeAs systems,
C. de la Cruz, Q. Huang, J.W. Lynn, J. Li, W. Ratcliff II, J.L. Zarestky, H.A. Mook, G.F. Chen, J.L. Luo, N.L. Wang and P. Dai,
Nature 453, 899 (2008).
* Role of hydration water in dynamics of biological macromolecules,
A.P. Sokolov, J.H. Roh, E. Mamontov, V. García Sakai,
Chem. Phys. 345, 212 (2008).
* Local polymer dynamics in polymer-C60 mixtures,
J.M. Kropka, V. García Sakai and P.F. Green,
Nanoletters 8, 1061 (2008).
* Spectroscopic and theoretical study of a mononuclear manganese(III) complex exhibiting a tetragonally compressed geometry,
Q. Scheifele, C. Riplinger, F. Neese, H. Weihe, A.-L. Barra, F. Juranyi, A. Podlesnyak, and P.L.W. Tregenna-Piggott,
Inog. Chem. 47, 439 (2008).
* Studying the galactic outflow in NGC 1569,
M.S. Westmoquette, L.J. Smith, and J.S. Gallagher III,
Mon. Not. R. Astron. Soc. 383,864-878 (2008).
* Introducing the time-of-flight backscattering instrument, MARS at SINQ,
P.L.W. Tregenna-Piggott, F. Juranyi, and P. Allenspach,
Neutron News 19, 20 (2008).
/ ################ 2007 PUBLICATIONS ####################>
2007
(32 publications: 24 in text, 8 personal acknowledgments)
* Gemini/IFU observations of galactic outflows in starburst galaxies,
L.J. Smith and M.S. Westmoquette,
Proceedings of the International Astronomical Union 3, 379 (2007).
* A Java-based science portal for neutron scattering experiments,
S.S. Vazhkudai, J.A. Kohl, and J. Schwidder,
ACM International Conference Proceeding Series; Vol. 272 Proceedings of the 5th international symposium on Principles and practice of programming in Java, 21 (2007).
* Gemini GMOS/integral field unit spectroscopy of NGC 1569 ? II:Mapping the roots of the galactic outflow,
M.S. Westmoquette, L.J. Smith, J.S. Gallagher III and K.M. Exter,
Mon. Not. R. Astron. Soc. 381, 913-931 (2007).
* Hubble Space Telescope space telescope imaging spectrograph spectroscopy of the environment in the starburst core of M82,
M.S. Westmoquette, L.J. Smith, J.S. Gallagher III, R.W. O'Connell, D.J. Rosario, and R. de Grijs,
Astrophys. J. 461, 358-373 (2007).
* Molecular dynamics in ammonium dihydrogen phosphate using incoherent neutron scattering,
V. Tripadus, M. Gugiu, M. Statescu, and A. Podlesnyak,
Chem. Phys 335, 233-241 (2007).
* Introducing the inverted time-of-flight backscattering instrument, MARS at SINQ,
P. Allenspach, F. Juranyi, and P.L.W. Tregenna-Piggott,
Swiss Neutron News 31, 16-27 (2007).
* Multitier portal acrhitecture for thin- and thick-neutron scattering experiment support,
M. Green and S.D. Miller,
Grid Computing Environments Conference Proceedings, http://library.rit.edu/oajournals/index.php/gce/article/view/102/80 (2007).
Quantum-spin-liquid states in the two-dimensional kagome antiferromgnets ZnxCu4-x(OD)6Cl2,
S.-H. Lee, H. Kikuchi, Y. Qiu, B. Lake, Q. Huang, K. Habicht and K. Kiefer,
Nature Materials 6, 853-857 (2007).
Dynamics of quantum spin liquid and spin solid phases in IPA-CuCl3 under an applied magnetic field studied with neutron scattering,
A. Zheludev, V.O. Garlea, T. Masuda, H. Manaka, L.-P. Regnault, E. Ressouche, B. Grenier, J.-H. Chung, Y. Qiu, K. Habicht, K. Kiefer and M. Boehm,
Phys. Rev. B 76, 054450 (2007).
Magnetic interactions in the geometrically frustrated triangular lattice antiferromagnet CuFeO2,
F. Ye, J.A. Fernandez-Baca, R.S. Fishman, Y. Ren, H.J. Kang, Y. Qiu and T. Kimura,
Phys. Rev. Lett. 99, 157201 (2007).
Neutron vibrational spectroscopy of the Pr2Fe17-based hydrides,
T.J. Udovic, W. Zhou, H. Wu, C.M. Brown, J.J. Rush, T. Yildirim, E. Mamontov and O. Isnard,
J. All. Com. 446-447, 504-507 (2007).
Inelastic neutron scattering of H2 adsorbed in HKUST-1,
Y. Liu, C.M. Brown, D. A. Neumann, V.K. Peterson, and C.J. Kepert,
J. All. Com. 446-447, 385-388 (2007).
Inelastic neutron scattering of H2 adsorbed on boron substituted single walled carbon nanotubes,
Y. Liu, C.M. Brown, J.L. Blackburn, D. A. Neumann, T. Gennett, L. Simpson, P. Parilla, A.C. Dillon, and M.J. Heben,
J. All. Com. 446-447, 368-372 (2007).
* Gapped itinerant spin excitations account for missing entropy in the hidden-order state of URu2Si2,
C.R. Wiebe, J.A. Janik, G.J. MacDougall, G.M. Luke, J.D. Garrett, H.D. Shou, Y.,-J. Jo, L. Balicas, Y. Qiu, J.R.D. Copley, Z. Yamani and J.L. Buyers,
Nature Physics 3, 96-100 (2007).
* Studies of intrinsic exchange interactions in Zn(Mn)O, Zn(Mn)S and Zn(Mn)Te at 4 kbar by inelastic neutron scattering,
Z.Q. Wiren, H. Kepa, C.M. Brown, J. Leão, S. Kolesnik, B. Dabrowski, J.K. Furdyna, and T.M. Giebultowicz,
Physics of Semiconductors: 28th International Conference on the Physics of Semiconductors, W. Jantsch and F.Schaffler, eds., AOP Conference Proceedingd Volume 893, pp. 1197-1198 (2007).
* Gemini GMOS/IFU spectroscopy of NGC 1569 ? I:Mapping the properties of a young star cluster and its environment,
M.S. Westmoquette, K.M. Exter, L.J. Smith, and J.S. Gallagher III,
Mon. Not. R. Astron. Soc. 381, 894 (2007).
* Separable cooperative and localized translational motions of water confined by a chemically heterogeneous environment,
C. Malardier-Jugroot and T. Head-Gordon,
Chem. Phys. Phys. Chem. 9, 1962 (2007).
* The origin of persistent spin dynamics and residual entropy in the stuffed spin ice Ho2.3Ti1.7O7−δ,
H.D. Zhou, C.R. Wiebe, Y.J. Jo, L. Balicas, Y. Qiu, J.R.D. Copley, G. Ehlers, P. Fouquet, and J.S. Gardner,
J. Phys.: Condens. Matter 19, 342201 (2007).
* Winds from super star clusters: The interstellar environment in the starburst core of M82,
L.J. Smith and M.S. Westmoquette,
New Astron. Rev. 51, 135?140 (2007).
* Effects of hydration water on protein methyl group dynamics in solution,
D. Russo, G.L. Hura, and J.R.D. Copley,
Phys. Rev. E 75, 040902(R) (2007).
* Neutron Spin-Echo measurements on the dynamics of surfactant membranes,
M. Nagao, H. Seto and A. Faraone,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 101 (2007).
Studies of dynamical layering in adsorbed organic films,
A.Diama, M.Simpson, H.Taub, F.Y.Hansen, R.M.Dimeo, D.A.Neumann, K.W.Herwig and U.G.Volkmann,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 89 (2007).
* Mobility of water on oxide surfces studied by QENS,
E. Mamontov,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 13 (2007).
* The effect of the unsaturated double bond on the bending elasticity of lipid membranes studied by Neutron Spin Echo,
Zheng Yi and D. Bossev,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 123 (2007).
* Comparative study of normal and branched alkane monolayer films adsorbed on a solid surface: II. Dynamics,
A.D. Enevoldsen, F.Y. Hansen, A. Diama, H. Taub, R.M. Dimeo, D.A. Neumann, and J.R.D. Copley,
J. Chem. Phys. 126, 104704 (2007).
* Dynamics of water in a porous phophate glass,
C. M. Brown, Y. Liu, S.-P. Tung, W.-R. Chen, and B.-J. Hwang,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 45 (2007).
* A quasi-elastic neutron scattering study of the dynamics of alkane and ether molecules tethered to the surface of MCM-41,
E. J. Kintzel Jr., K. W. Herwig, M. K. Kidder, P. F. Britt, A. C. Buchanan III, and A. L. Chaffee,
Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 31 (2007).
* Dynamics and structure of hydration water on rutile and cassiterite nanopowders studied by quasielastic neutron scattering and molecular dynamics simulations,
E. Mamontov, L. Vlcek, D. J. Wesolowski, P. T. Cummings, W. Wang, L. M. Anovitz, J. Rosenqvist, C. M. Brown, and V. García Sakai,
J. Phys. Chem. C. 111, 4328 (2007).
* A comparative study of normal and branched alkane monolayer films on a solid surface: II. Dynamics,
A.D. Enevoldsen, F.Y. Hansen, A. Diama, H. Taub, R.M. Dimeo, D.A. Neumann, and J.R.D. Copley,
J. Chem. Phys. 126, 104704 (2007).
Diffusion of water in the Na0.3CoO2·1.4H2O superconductor,
V. García Sakai, E. Mamontov, J. W. Lynn, L. Viciu and R. J. Cava,
Phys. Rev. B, 75, 014505 (2007).
* Spin dynamics of Fe7M (M=Zn, Mn) heterometallic rings probed by neutron spectroscopy,
T. Guidi, J.R.D. Copley, Y.Qiu, S. Carretta, P. Santini, G. Amoretti, G. Timco, R.E.P. Winpenny, C.L. Dennis, and R. Caciuffo,
Phys. Rev. B. 75, 014408 (2007).
* A molecular view of melting in anhydrous phospholipidic membranes,
M. Doxastakis, V. García Sakai, S. Ohtake, J.K. Maranas, and J.J. de Pablo,
Biophys. J. 92, 147 (2007).
/ ################ 2006 PUBLICATIONS ####################>
2006
(23 publications: 15 in text, 8 personal acknowledgments)
* Dynamics of ammonia borane using neutron scattering,
C.M. Brown, T.L. Jacques, N.J. Hess, L.L. Daemen, E. Mamontov, J.C. Linehan, A.C. Stowe, and T. Autrey,
Physica B 385-386, 266 (2006).
* Local dynamics of syndiotactic poly(methyl methacrylate) using molecular dynamics simulation,
C. Chen, J.K. Maranas, and V. García Sakai,
Macromolecules 39, 9630 (2006).
* Diffusive hydrogen motion in ZrBe2H0.56: A quasielastic neutron scattering study,
R.L. Cappelletti, T.J. Udovic, Z. Chowdhuri, B.C. Hauback, A.J. Maeland, R.M. Dimeo,
Physica B 385-386, 208 (2006).
* The boson peak in melt-formed and damage-formed glasses: a defect signature?,
H. Bhat, I. Peral, J.R.D. Copley, and C.A. Angell,
J. Non-Cryst. Solids 352, 4517 (2006).
Neutron scattering from a coordination polymer quantum paramagnet,
T. Hong, M. Kenzelmann, M.M. Turnbull, C.P. Landee, B.D. Lewis, K.P. Schmidt, G.S. Uhrig, Y. Qiu, C. Broholm, and D. Reich,
Phys. Rev. B 74, 094434 (2006).
Local order and frustration in the geometrically frustrated spinels Cd1-xZnxV2O4,
Z. Zhang, D. Louca, A. Visinoiu, S.-H. Lee, J.D. Thompson, T. Proffen, A. Llobet, Y. Qiu, S. Park, and Y. Ueda,
Phys. Rev. B 74, 014108 (2006).
* Isomeric and concentration effects of C4-cosurfactants on four-component microemulsions investigated by neutron spin-echo and small-angle scattering,
E. Zambrano, M. Kotlarchyk, A. Langner and A. Faraone,
J. Phys.: Condens. Matter 18, S2451 (2006).
* Vibrational analysis of the inelastic neutron scattering spectra of electron donor-acceptor complexes II. Tetracyanoethylene-perylene by electronic structure calculations,
J.A. Ciezak, J.B. Leão, and B.S. Hudson,
J. Molec. Struct:THEOCHEM 23, 767 (2006).
* Influence of hydration on the dynamics of lysozyme,
J.H. Roh, J.E. Curtis, S. Azzam, V.N. Novikov, I. Peral, Z. Chowdhuri, R.B. Gregory, and A.P. Sokolov,
Biophys. J. 91, 2573 (2006).
* Inelastic neutron scattering investigation of hydrating tricalcium and dicalcium silicate mixtures,
V.K. Peterson, D.A. Neumann, and R.A. Livingston,
J. Mater. Res. 21, 1836 (2006).
* Quasielastic neutron scattering study of diffusive hydrogen motion in ZrBe2H0.56,
R.L. Cappelletti, Z. Chowdhuri, T.J. Udovic, R.M. Dimeo, B.C. Hauback, and A.J. Maeland,
Phys. Rev. B 73, 224109 (2006).
* A comparison of united atom, explicit atom and coarse-grained simulation models for poly(ethylene oxide),
C. Chen, P. Depa, V. García Sakai, J.K. Maranas, J.W. Lynn, I. Peral, and J.R.D. Copley,
J. Chem. Phys. 124, 234901 (2006).
* The inelastic neutron scattering spectrum of 1,4-Dinitroimidazole and the reproduction of its solid-state features by periodic DFT methods,
J.A. Ciezak and S.F. Trevino,
Mater. Res. Soc. Symp. Proc. 896-H05-02.1 (2006).
* Inleastic neutron scattering spectrum of cyclotrimethylenetrinitamine: A comparison with solid-state electronic structure calculations,
J.A. Ciezak and S.F. Trevino,
J. Phys. Chem. A 110, 5149 (2006).
* Structural and vibrational characterization of tetracyanoethylene-hexamethylbenzene as a function of pressure,
J.A. Ciezak and J.B. Leão,
J. Phys. Chem. A 110, 3759 (2006).
* The composition dependence of segmental dynamics of poly(methyl methacrylate) in miscible blends with poly(ethylene oxide),
J. Liu, V. García Sakai, J.K. Maranas and Z. Chowdhuri,
Macromolecules 39, 2866 (2006).
* Dynamics of hydrogen in Pr2Fe17H4 and Pr2Fe17H5,
E. Mamontov, T.J. Udovic, J.J. Rush, and O. Isnard,
Mater. Res. Soc. Symp. Proc. 885E, 0885-A08-07.1-5 (2006).
Temperature dependent bilayer ferromagnetism in Sr3Ru2O7,
M.B. Stone, M.D. Lumsden, R. Jin, B.C. Sales, D. Mandrus, S.E. Nagler, and Y.Qiu,
Phys. Rev. B 73, 174426 (2006).
Field-induced order and spin waves in the pyrochlore antiferromagnet,
K.C. Rule, J.P.C. Ruff, B.D. Gaulin, S.R. Dunsiger, J.S. Gardner, J.P. Clancy, M.J. Lewis, H.A. Dabkowska, I. Mirebeau, P. Manuel, Y. Qiu, and J.R.D. Copley,
Phys. Rev. Lett. 96, 177201 (2006).
Dynamics of composite Haldane spin chains in IPA-CuCl3,
T. Masuda, A. Zheludev, H. Manaka, L.-P. Regnault, J.-H. Chung, and Y. Qiu,
Phys. Rev. Lett. 96, 047210 (2006).
Probing spin frustration in high-symmetry magnetic nanomolecules by inelastic neutron scattering,
V.O. Garlea, S.E. Nagler, J.L. Zarestky, C. Stassis, D. Vaknin, P. Kögerler, D.F. McMorrow, C. Niedermayer, D.A. Tennant, B. Lake, Y. Qiu, M. Exler, J.Schnack, and M. Luban,
Phys. Rev. B 73, 024414 (2006).
Nanomagnetic droplets and implications to orbital ordering in La1-xSrxCoO3,
D. Phelan, D. Louca, S. Rosenkranz, S.-H. Lee, Y. Qiu, P.J. Chupas, R. Osborn, H. Zheng, J.F. Mitchell, J.R.D. Copley, J.L. Sarrao and Y. Moritomo,
Phys. Rev. Lett. 96, 027201 (2006).
Dynamic transition in tRNA is solvent induced,
G. Caliskan, R. M. Briber, D. Thirumalai, V. García Sakai, S. A. Woodson, and A. P. Sokolov,
J. Am. Chem. Soc.128, 32-33 (2006).
/ ################ 2005 PUBLICATIONS ####################>
2005
(18 publications: 18 in text, 0 personal acknowledgments)
* Data reduction on time-of-flight instruments,
P.L.W. Tregenna-Piggott,
Swiss Neutron News 28, 4 (2005).
* Diffusion of benzene confined in the oriented nanochannels of chrysotile asbestos fibers,
E. Mamontov, Yu A. Kumzerov, and S.B. Vakhrushev,
Phys. Rev. E 72, 051502 (2005).
* Observation of fragile-to-strong liquid transition in surface water in CeO2,
E. Mamontov,
J. Chem. Phys. 123, 171101 (2005).
* Theoretical and experimental study of the inelastic neutron scattering spectra of B-5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one,
J.A. Ciezak and S.F. Trevino,
J. Molec. Struct.:THEOCHEM 732, 211 (2005).
* Miscible blend dynamics and the length scale of local Compositions,
V. García Sakai, J.K. Maranas, Z. Chowdhuri, I. Peral, and J.R.D. Copley,
J. Polym. Sci. Part B: Polym. Phys. 43,2914 (2005).
* High-resolution neutron scattering study of slow dynamics of surface water molecules in zirconium oxide,
E.Mamontov,
J. Chem.Phys., 123, 024706 (2005).
* Onset of anharmonicity in protein dynamics,
J.H. Roh, V.N. Novikov, R.B. Gregory, J.E. Curtis, Z. Chowdhuri, and A.P. Sokolov,
Phys. Rev. Lett. 95, 038101 (2005).
* Hydration of tricalcium and dicalcium silicate mixtures studied using quasielastic neutron scattering,
V.K. Peterson, D.A. Neumann, and R.A. Livingston,
J. Phys. Chem. B 109, 14449 (2005).
* Molecular view of water dynamics near model peptides,
D. Russo, R.K. Murarka, J.R.D. Copley, and T. Head-Gordon,
J. Phys. Chem. B 109, 12966 (2005).
* Translational dynamics of water in the nanochannels of oriented chrysotile asbestos fibers,
E.Mamontov, Yu A. Kumzerov, and S.B. Vakhrushev,
Phys. Rev. E 71, 061502 (2005).
* Structure and dynamics of propylene oxide and trimethylene oxide clathrate hydrates,
I. Peral, J.E. Curtis,B.C. Chakoumakos and C.Y. Jones,
Proceedings of the Materials Research Society 2004 Fall Meeting: Neutron and X-Ray Scattering as Probes of Multiscale Phenomena. Volume 840, (Warrendale, PA, 2005), paper Q2.1, Editors: S.R.Bhatia, P.G.Khalifah,D.Pochan, P.Radaelli. ISBN: 1-55899-788-1. (2005).
* Molecular dynamics of confined glucose solutions,
G. Lelong, D.L. Price, A. Douy, S. Kline, J.W. Brady, and M.-L. Saboungi,
J. Chem. Phys. 122, 164504 (2005).
* Spin dynamics and tunneling of the Neel vector in the Fe10 magnetic wheel,
P. Santini, S. Carretta, G. Amoretti, T. Guidi, R.Caciuffo, A. Caneschi, D. Rovai, Y. Qiu, and J.R.D. Copley,
Phys. Rev. B 71, 184405 (2005).
* The molecular structure and inelastic neutron scattering spectra of 2,6-diamino-3,5-dinitropyrazine,
J.A. Ciezak and S.F. Trevino,
J. Molec. Struct.:THEOCHEM 723, 241 (2005).
* Translational dynamics of water in nanoporous layered silicate,
S. Nair, Z. Chowdhuri, I. Peral, D.A. Neumann, L.Charles Dickinson, H.-K. Jeong, and M. Tsapatsis,
Phys. Rev. B 71, 104301 (2005).
* The inelastic neutron scattering spectra of a-2-amino-5-nitro-1,2,4-2H-triazole: Experiment and DFT calculations,
J.A. Ciezak and S.F. Trevino,
Chem. Phys. Lett. 403, 329 (2005).
* Magnetic order and spin dynamics in ferroelectric HoMnO3,
O.P. Vajk, M. Kenzelmann, J.W. Lynn, S.B. Kim, and S.-W. Cheong,
Phys. Rev. Lett. 94, 087601 (2005).
* Rotational dynamics of methyl groups in m-xylene,
O. Kirstein, M. Prager, R.M. Dimeo, and A. Desmedt,
J. Chem. Phys. 122, 014502 (2005).
/ ################ 2004 PUBLICATIONS ####################>
2004
(9 publications: 9 in text, 0 personal acknowledgments)
* Vibrations of micro-eV energies in nanocrystallilne microstructures,
A.F. Yue, A.B. Papandrew, O. Delaire, B. Fultz, Z. Chowdhuri, R.M. Dimeo and D.A. Neumann,
Phys. Rev. Lett. 93, 205501 (2004).
* Methyl rotational tunneling dynamics of p-xylene confined in a crystalline zeolite host,
S. Nair, R.M. Dimeo, D.A. Neumann, A.J. Horsewill, and M. Tsapatsis,
J. Chem. Phys. 121, 4810 (2004).
* Molecular dynamics of glucose in solution: a quasielastic neutron scattering study,
L.J. Smith, D.L. Price, Z. Chowdhuri, J.W. Brady, and M.-L. Saboungi,
J. Chem. Phys. 120, 3527 (2004).
* Dynamics of surface water in ZrO2 studied by quasielastic neutron scattering,
E. Mamontov,
J. Chem. Phys. 121, 9087 (2004).
* Evidence for anomalous hydration dynamics near a model hydrophobic peptide,
D. Russo, R.K. Murarka, G. Hura, E. Verschell, J.R.D. Copley and T. Head-Gordon,
J. Phys. Chem. B 108, 19885 (2004).
* Dynamics of water molecules in glucose solutions,
C. Talon, L.J. Smith, J.W. Brady, B.A. Lewis, J.R.D. Copley, D.L. Price, and M.-L. Saboungi,
J. Phys. Chem. B 108, 5120 (2004).
* Effect of blending with poly(ethylene oxide) on the dynamics of poly(methyl methacrylate): a quasielastic neutron scattering approach,
V. García-Sakai, C. Chen, J.K. Maranas, and Z. Chowdhuri,
Macromolecules 37, 9975 (2004).
* Dynamics of trimethylene oxide in a structure II clathrate hydrate,
C.Y. Jones and I. Peral,
American Mineralogist 89, 1176 (2004).
* Hydration dynamics near a model protein surface,
D. Russo, G. Hura and T. Head-Gordon,
Biophys. J. 86, 1852 (2004).
/ ################ 2003 PUBLICATIONS ####################>
2003
(1 publications: 1 in text, 0 personal acknowledgments)
* Diffusion of H2 adsorbed on single walled carbon nanotubes,
D.G. Narehood, J.V. Pearce, P.C. Eklund, P.E. Sokol, R.E. Lechner, J. Pieper, J.R.D. Copley and J.C. Cook,
Phys. Rev. B 67, 205409 (2003).