Publication Date:
2018-11-22
Description:
Author(s): Huafeng Dong, Artem R. Oganov, Vadim V. Brazhkin, Qinggao Wang, Jin Zhang, M. Mahdi Davari Esfahani, Xiang-Feng Zhou, Fugen Wu, and Qiang Zhu We search for stable compounds of boron and oxygen at pressures from 0 to 500 GPa using the ab initio evolutionary algorithm uspex . Only two stable stoichiometries of boron oxides, namely, B 6 O and B 2 O 3 , are found to be stable, in good agreement with experiment. A hitherto unknown phase of B 6 O at amb... [Phys. Rev. B 98, 174109] Published Wed Nov 21, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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