Ultrasmall nanoparticles inducing order-to-disorder transition
Simin An, Rui Su, Shuai Zhao, Jianbo Liu, Baixin Liu, and Pengfei Guan
Phys. Rev. B 98, 134101 (2018) - Published 4 October, 2018
Competing structural instabilities in
A. Girard, H. Taniguchi, S. M. Souliou, M. Stekiel, W. Morgenroth, A. Minelli, A. Kuwabara, A. Bosak, and B. Winkler
Phys. Rev. B 98, 134102 (2018) - Published 9 October, 2018
BiSiO recently emerged as a promising ambient-temperature lead-free ferroelectric with a Curie temperature of 663 K, where the ferroelectricity arises from the tilt of quasi-one-dimensional SiO chains. Here, the authors analyze the competition between ferroelectric and antiferroelectric instabilities by investigating the characteristic temperature-dependent phonon energies at the center and the edge of the Brillouin zone, respectively. The direct evidence for this competition opens the way towards tuning the properties of BiSiO by application of pressure or electrical field.
High-pressure properties of dense metallic zirconium hydrides studied by ab initio calculations
Kazutaka Abe
Phys. Rev. B 98, 134103 (2018) - Published 10 October, 2018
Elastic models of dislocations based on atomistic Kanzaki forces
B. Gurrutxaga-Lerma and J. Verschueren
Phys. Rev. B 98, 134104 (2018) - Published 11 October, 2018
Brittle failure of orthorhombic borides from first-principles simulations
Yidi Shen and Qi An
Phys. Rev. B 98, 134105 (2018) - Published 11 October, 2018
Correlated polarization-switching kinetics in bulk polycrystalline ferroelectrics. II. Impact of crystalline phase symmetries
R. Khachaturyan and Y. A. Genenko
Phys. Rev. B 98, 134106 (2018) - Published 15 October, 2018
Elastic stability of phase I under high temperature and pressure
Siyang Guo, Xiaoli Huang, Sergey N. Tkachev, Xinpeng Fu, Jung-fu Lin, Xinyang Li, Zhu Mao, Qiang Zhou, Fangfei Li, and Tian Cui
Phys. Rev. B 98, 134107 (2018) - Published 15 October, 2018
Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory
Thomas Gruber and Andreas Grüneis
Phys. Rev. B 98, 134108 (2018) - Published 16 October, 2018
Defect sizing, separation, and substrate effects in ion-irradiated monolayer two-dimensional materials
Pierce Maguire, Daniel S. Fox, Yangbo Zhou, Qianjin Wang, Maria O'Brien, Jakub Jadwiszczak, Conor P. Cullen, John McManus, Samuel Bateman, Niall McEvoy, Georg S. Duesberg, and Hongzhou Zhang
Phys. Rev. B 98, 134109 (2018) - Published 18 October, 2018
Ab initio investigation on the experimental observation of metallic hydrogen
Xiao-Wei Zhang, En-Ge Wang, and Xin-Zheng Li
Phys. Rev. B 98, 134110 (2018) - Published 19 October, 2018
Topological ferroelectric phases by mode-selective phonon excitation
Huaxiang Fu
Phys. Rev. B 98, 134111 (2018) - Published 23 October, 2018
Femtosecond laser amorphization of tellurium
Yu-Hsiang Cheng, Samuel W. Teitelbaum, Frank Y. Gao, and Keith A. Nelson
Phys. Rev. B 98, 134112 (2018) - Published 24 October, 2018
Piezoelectric polar nanoregions and relaxation-coupled resonances in relaxor ferroelectrics
Ling Cai, Radha Pattnaik, Joel Lundeen, and Jean Toulouse
Phys. Rev. B 98, 134113 (2018) - Published 25 October, 2018
Lattice expansion and local lattice distortion in Nb- and La-doped single crystals investigated by x-ray diffraction and first-principles calculations
Shunsuke Kobayashi, Yuichi Ikuhara, and Teruyasu Mizoguchi
Phys. Rev. B 98, 134114 (2018) - Published 31 October, 2018







