Electronic structure, equation of state, and lattice dynamics of low-pressure Ge polymorphs
Brad D. Malone and Marvin L. Cohen
Phys. Rev. B 86, 054101 (2012) - Published 1 August, 2012
Phase transition in GeF driven by change of type of intermolecular interaction
Denis Usvyat, Congling Yin, Gero Wälz, Claus Mühle, Martin Schütz, and Martin Jansen
Phys. Rev. B 86, 054102 (2012) - Published 1 August, 2012
Simulation of alloy thermodynamics: From an atomic to a mesoscale Hamiltonian
T. Garnier, A. Finel, Y. Le Bouar, and M. Nastar
Phys. Rev. B 86, 054103 (2012) - Published 2 August, 2012
Simulating liquid and amorphous silicon dioxide using real-space pseudopotentials
Minjung Kim, K. H. Khoo, and James R. Chelikowsky
Phys. Rev. B 86, 054104 (2012) - Published 2 August, 2012
Phase stability of long-period stacking structures in Mg-Y-Zn: A first-principles study
Satoshi Iikubo, Kensuke Matsuda, and Hiroshi Ohtani
Phys. Rev. B 86, 054105 (2012) - Published 3 August, 2012
Intrinsic defects and conduction characteristics of ScO in thermionic cathode systems
Ryan M. Jacobs, John H. Booske, and Dane Morgan
Phys. Rev. B 86, 054106 (2012) - Published 8 August, 2012
First-principles study of the ferroelectric Aurivillius phase BiWO
Hania Djani, Eric Bousquet, Abdelhafid Kellou, and Philippe Ghosez
Phys. Rev. B 86, 054107 (2012) - Published 8 August, 2012
Physics of polymorphic transitions in CeRuSn
J. Fikáček, J. Prokleška, M. Míšek, J. Custers, S. Daniš, J. Prchal, V. Sechovský, and I. Císařová
Phys. Rev. B 86, 054108 (2012) - Published 13 August, 2012
Ab initio molecular dynamics simulations of low-energy recoil events in ThO, CeO, and ZrO
H. Y. Xiao, Y. Zhang, and W. J. Weber
Phys. Rev. B 86, 054109 (2012) - Published 13 August, 2012
Structure and stability of an amorphous water–methane mixture produced by cold compression of methane hydrate
C. A. Tulk, D. D. Klug, J. J. Molaison, A. M. dos Santos, and N. Pradhan
Phys. Rev. B 86, 054110 (2012) - Published 15 August, 2012
Neutron diffraction study and anomalous negative thermal expansion in nonsuperconducting PrFeRuAsO
Yuen Yiu, V. Ovidiu Garlea, Michael A. McGuire, Ashfia Huq, David Mandrus, and Stephen E. Nagler
Phys. Rev. B 86, 054111 (2012) - Published 15 August, 2012
Antiferrodistortive phase transition in EuTiO
V. Goian, S. Kamba, O. Pacherová, J. Drahokoupil, L. Palatinus, M. Dušek, J. Rohlíček, M. Savinov, F. Laufek, W. Schranz, A. Fuith, M. Kachlík, K. Maca, A. Shkabko, L. Sagarna, A. Weidenkaff, and A. A. Belik
Phys. Rev. B 86, 054112 (2012) - Published 17 August, 2012
Rate theory cluster dynamics simulations including spatial correlations within displacement cascades
T. Jourdan and J.-P. Crocombette
Phys. Rev. B 86, 054113 (2012) - Published 20 August, 2012
Monte Carlo Metropolis study of cluster evolution in spin-crossover solids within the framework of a mechanoelastic model
Cristian Enachescu, Masamichi Nishino, Seiji Miyashita, Laurentiu Stoleriu, and Alexandru Stancu
Phys. Rev. B 86, 054114 (2012) - Published 20 August, 2012
Phonon softening and superconductivity triggered by spin-orbit coupling in simple-cubic -polonium crystals
Chang-Jong Kang, Kyoo Kim, and B. I. Min
Phys. Rev. B 86, 054115 (2012) - Published 20 August, 2012
Investigation of nickel lattice sites in diamond: Density functional theory and x-ray absorption near-edge structure experiments
Etienne Gheeraert, Amit Kumar, Etienne Bustarret, Laurent Ranno, Laurence Magaud, Yves Joly, Sakura Pascarelli, Matthew Ruffoni, Devesh Kumar Avasthi, and Hisao Kanda
Phys. Rev. B 86, 054116 (2012) - Published 22 August, 2012
Orientation-field model for polycrystalline solidification with a singular coupling between order and orientation
Hervé Henry, Jesper Mellenthin, and Mathis Plapp
Phys. Rev. B 86, 054117 (2012) - Published 23 August, 2012
Ideal strength and structural instability of aluminum at finite temperatures
Wei Zhou, Yi Zhang, Hong Sun, and Changfeng Chen
Phys. Rev. B 86, 054118 (2012) - Published 24 August, 2012
Fast free-energy calculations for unstable high-temperature phases
Nikolas Antolin, Oscar D. Restrepo, and Wolfgang Windl
Phys. Rev. B 86, 054119 (2012) - Published 27 August, 2012
Phase diagram of polar states in doped ferroelectric systems
Dong Wang, Xiaoqin Ke, Yunzhi Wang, Jinghui Gao, Yu Wang, Lixue Zhang, Sen Yang, and Xiaobing Ren
Phys. Rev. B 86, 054120 (2012) - Published 27 August, 2012
Complex high-pressure polymorphism of barium tungstate
O. Gomis, J. A. Sans, R. Lacomba-Perales, D. Errandonea, Y. Meng, J. C. Chervin, and A. Polian
Phys. Rev. B 86, 054121 (2012) - Published 27 August, 2012