Publication Date:
2018-03-27
Description:
Author(s): Xin-Ling He, Xiao Dong, QuanSheng Wu, Zhisheng Zhao, Qiang Zhu, Artem R. Oganov, Yongjun Tian, Dongli Yu, Xiang-Feng Zhou, and Hui-Tian Wang Binary borides has been a subject of extensive research. However, the exact compositions and crystal structures of sodium borides remained controversial. Here, using the ab initio variable-composition evolutionary algorithm, a new stable Na 2 B 30 with I 2 1 2 1 2 1 symmetry ( I 2 1 2 1 2 1 − Na 2 B 30 ) is found, which ... [Phys. Rev. B 97, 100102(R)] Published Mon Mar 26, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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