Structure of periodic crystals and quasicrystals in ultrathin films of Ba-Ti-O
Eric Cockayne, Marek Mihalkovič, and Christopher L. Henley
Phys. Rev. B 93, 020101(R) (2016) - Published 7 January, 2016
Through a combination of modeling and density functional theory calculations, the authors solve the structure of the only known quasicrystalline oxide, Ba-Ti-O, and introduce a new crystal-chemistry motif that explains all previously unsolved ultrathin Ba-Ti-O structures.
Temperature-dependent high energy-resolution EELS of ferroelectric and paraelectric phases
Matthieu Bugnet, Guillaume Radtke, Steffi Y. Woo, Guo-zhen Zhu, and Gianluigi A. Botton
Phys. Rev. B 93, 020102(R) (2016) - Published 7 January, 2016
Dissociation products and structures of solid at strong compression
Yinwei Li, Lin Wang, Hanyu Liu, Yunwei Zhang, Jian Hao, Chris J. Pickard, Joseph R. Nelson, Richard J. Needs, Wentao Li, Yanwei Huang, Ion Errea, Matteo Calandra, Francesco Mauri, and Yanming Ma
Phys. Rev. B 93, 020103(R) (2016) - Published 11 January, 2016
Hydrogen sulfides have recently received a great deal of interest due to the record high- of up to 203 K observed on strong compression of HS . In this paper, a joint theoretical and experimental study is presented to characterize the dissociation products of compressed HS , which is essential to understand its complex superconducting states. Based on the results here, the authors found HS partially decomposes into S + HS + HS above 27 GPa, and HS emerges as the major component at around 66 GPa. Interestingly, x-ray diffraction (XRD) experiments observed a small fraction of HS and residual HS at least up to 140 GPa, which are believed to be responsible for the two superconducting states observed in experiments. This paper provides the first XRD evidence on the existence of HS at high pressure from the decomposition of HS.
Titanium phase transformation pathway and a predicted metastable structure
N. A. Zarkevich and D. D. Johnson
Phys. Rev. B 93, 020104(R) (2016) - Published 15 January, 2016





