Atomic-level study of under epitaxial strain
M. Graf, M. Sepliarsky, and M. G. Stachiotti
Phys. Rev. B 94, 054101 (2016) - Published 1 August, 2016
Structure and pressure-induced ferroelectric phase transition in antiphase domain boundaries of strontium titanate from first principles
Alexander Kvasov, Alexander K. Tagantsev, and Nava Setter
Phys. Rev. B 94, 054102 (2016) - Published 3 August, 2016
Vacancies and oxidation of two-dimensional group-IV monochalcogenides
Lídia C. Gomes, A. Carvalho, and A. H. Castro Neto
Phys. Rev. B 94, 054103 (2016) - Published 9 August, 2016
Carbon-rich icosahedral boron carbides beyond and their thermodynamic stabilities at high temperature and pressure from first principles
A. Ektarawong, S. I. Simak, and B. Alling
Phys. Rev. B 94, 054104 (2016) - Published 10 August, 2016
Dislocations via incompatibilities in phase-field models of microstructure evolution
R. Gröger, B. Marchand, and T. Lookman
Phys. Rev. B 94, 054105 (2016) - Published 10 August, 2016
Light-element diffusion in Mg using first-principles calculations: Anisotropy and elastodiffusion
Ravi Agarwal and Dallas R. Trinkle
Phys. Rev. B 94, 054106 (2016) - Published 12 August, 2016
Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites
Kinnary Patel, Sergey Prosandeev, Yurong Yang, Bin Xu, Jorge Íñiguez, and L. Bellaiche
Phys. Rev. B 94, 054107 (2016) - Published 12 August, 2016
Effects of strain on the stability of tetragonal
Min-Hua Chen, John C. Thomas, Anirudh Raju Natarajan, and Anton Van der Ven
Phys. Rev. B 94, 054108 (2016) - Published 12 August, 2016
Dynamic nonlinearity in epitaxial films
M. Tyunina and M. Savinov
Phys. Rev. B 94, 054109 (2016) - Published 12 August, 2016
Competing structures in two dimensions: Square-to-hexagonal transition
Barbara Gränz, Sergey E. Korshunov, Vadim B. Geshkenbein, and Gianni Blatter
Phys. Rev. B 94, 054110 (2016) - Published 15 August, 2016
Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations
E. Mozafari, N. Shulumba, P. Steneteg, B. Alling, and Igor A. Abrikosov
Phys. Rev. B 94, 054111 (2016) - Published 15 August, 2016
Ferroelectric phase transitions in multiferroic driven by local lattice distortions
Dominik Kriegner, Jürgen Furthmüller, Raimund Kirchschlager, Jan Endres, Lukas Horak, Petr Cejpek, Helena Reichlova, Xavier Marti, Daniel Primetzhofer, Andreas Ney, Günther Bauer, Friedhelm Bechstedt, Vaclav Holy, and Gunther Springholz
Phys. Rev. B 94, 054112 (2016) - Published 19 August, 2016
Realization of stable ferromagnetic order in a topological insulator: Codoping-enhanced magnetism in transition metal doped
Bei Deng, Yiou Zhang, S. B. Zhang, Yayu Wang, Ke He, and Junyi Zhu
Phys. Rev. B 94, 054113 (2016) - Published 26 August, 2016
Ab initio modeling of quasielastic neutron scattering of hydrogen pipe diffusion in palladium
Emily J. Schiavone and Dallas R. Trinkle
Phys. Rev. B 94, 054114 (2016) - Published 26 August, 2016
Local twin domains and tip-voltage-induced domain switching of monoclinic phase in single crystal revealed by piezoresponse force microscopy
Ruixue Wang, Bin Yang, Zhenlin Luo, Enwei Sun, Yuan Sun, Han Xu, Jiangtao Zhao, Limei Zheng, Hua Zhou, Chen Gao, and Wenwu Cao
Phys. Rev. B 94, 054115 (2016) - Published 29 August, 2016
Computational discovery of stable phases
Michael Ashton, Richard G. Hennig, Scott R. Broderick, Krishna Rajan, and Susan B. Sinnott
Phys. Rev. B 94, 054116 (2016) - Published 31 August, 2016
Giant thermal vibrations in the framework compounds
S. Kawaguchi, Y. Ishii, E. Tanaka, H. Tsukasaki, Y. Kubota, and S. Mori
Phys. Rev. B 94, 054117 (2016) - Published 31 August, 2016

