137 citations · 547 across the 13 of their papers we have counts for
4 papers · 2 filters
Phase stability, chemical bonding and mechanical properties of titanium nitrides: A first-principles study
Shuyin Yu, Qingfeng Zeng, Artem R. Oganov +2
We have performed first-principles evolutionary searches for all stable titanium nitrides and have found, in addition to the well-known rocksalt-type TiN, new ground states TiN…
Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences
Guang-Rui Qian, Haiyang Niu, Chao-Hao Hu +3
Nitrogen hydrides, including ammonia (NH3), hydrazine (N2H4), hydrazoic acid (HN3) and etc, are compounds of great fundamental and applied importance. Their high-pressure behavior…
Formation of Stoichiometric CsF Compounds
Qiang Zhu, Artem R. Oganov, Qingfeng Zeng
Alkali halides , have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M and X. It was proposed that group I elem…
Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system
Shuyin Yu, Qingfeng Zeng, Artem R. Oganov +3
Using first-principles variable-composition evolutionary methodology, we explored the high-pressure structures of beryllium hydrides between 0 and 400 GPa. We found that BeH re…