Role of descriptors in predicting the dissolution energy of embedded oxides and the bulk modulus of oxide-embedded iron
Keisuke Takahashi and Yuzuru Tanaka
Phys. Rev. B 95, 014101 (2017) - Published 4 January, 2017
Numerical analytic continuation: Answers to well-posed questions
Olga Goulko, Andrey S. Mishchenko, Lode Pollet, Nikolay Prokof'ev, and Boris Svistunov
Phys. Rev. B 95, 014102 (2017) - Published 6 January, 2017
Manipulating charge ordering in by field cooling
T. P. Ma, Y. Yang, Z. Ding, Z. H. Chen, H. B. Zhao, P. Werner, Stuart S. P. Parkin, and Y. Z. Wu
Phys. Rev. B 95, 014103 (2017) - Published 6 January, 2017
Flexocoupling impact on the kinetics of polarization reversal
Ivan S. Vorotiahin, Anna N. Morozovska, Eugene A. Eliseev, and Yuri A. Genenko
Phys. Rev. B 95, 014104 (2017) - Published 10 January, 2017
Domain walls and ferroelectric reversal in corundum derivatives
Meng Ye and David Vanderbilt
Phys. Rev. B 95, 014105 (2017) - Published 10 January, 2017
Materials physicists are increasingly coming to understand that domain walls in complex materials often have a life of their own. Far from being unwanted “defects”, they may have rich and interesting physics not available in the bulk material. Here, the authors use first-principles theoretical methods to consider ferroelectric domain walls in a promising family of corundum-derivative materials. Beyond studying issues of domain wall mobility and clarifying the factors that allow polarization reversal, the authors also identify an unusual set of domain-wall-specific couplings between polarization, magnetization, and chirality that they suggest may lead to new functionalities.
Strain effects on the behavior of isolated and paired sulfur vacancy defects in monolayer
Mehmet Gokhan Sensoy, Dmitry Vinichenko, Wei Chen, Cynthia M. Friend, and Efthimios Kaxiras
Phys. Rev. B 95, 014106 (2017) - Published 17 January, 2017
Dynamical approach to displacement jumps in nanoindentation experiments
Srikanth K and G. Ananthakrishna
Phys. Rev. B 95, 014107 (2017) - Published 19 January, 2017
First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond
Joseph C. A. Prentice, Bartomeu Monserrat, and R. J. Needs
Phys. Rev. B 95, 014108 (2017) - Published 20 January, 2017
Origin of the second peak in the mechanical loss function of amorphous silica
Chris R. Billman, Jonathan P. Trinastic, Dustin J. Davis, Rashid Hamdan, and Hai-Ping Cheng
Phys. Rev. B 95, 014109 (2017) - Published 23 January, 2017
Volume and pressure dependences of the electronic, vibrational, and crystal structures of : Identification of a pressure-induced piezochromic phase at high pressure
L. Nataf, F. Aguado, I. Hernández, R. Valiente, J. González, M. N. Sanz-Ortiz, H. Wilhelm, A. P. Jephcoat, F. Baudelet, and F. Rodríguez
Phys. Rev. B 95, 014110 (2017) - Published 24 January, 2017
Lattice dynamics and ferroelectric properties of the nitride perovskite
Yue-Wen Fang, Craig A. J. Fisher, Akihide Kuwabara, Xin-Wei Shen, Takafumi Ogawa, Hiroki Moriwake, Rong Huang, and Chun-Gang Duan
Phys. Rev. B 95, 014111 (2017) - Published 26 January, 2017
Effective Hamiltonians, prethermalization, and slow energy absorption in periodically driven many-body systems
Dmitry A. Abanin, Wojciech De Roeck, Wen Wei Ho, and François Huveneers
Phys. Rev. B 95, 014112 (2017) - Published 27 January, 2017
Vacancy-induced dissolution of precipitates in out-of-equilibrium systems: A test case of (,N,O) alloys
Thomas Schuler, Maylise Nastar, and Frédéric Soisson
Phys. Rev. B 95, 014113 (2017) - Published 30 January, 2017
Stratified construction of neural network based interatomic models for multicomponent materials
Samad Hajinazar, Junping Shao, and Aleksey N. Kolmogorov
Phys. Rev. B 95, 014114 (2017) - Published 30 January, 2017





