120 citations
- Centre National de la Recherche ScientifiqueFR29 papers
- Institut PprimeFR13 papers
- Laboratoire de Mathématiques Blaise PascalFR8 papers
- École Nationale Supérieure de Mécanique et d'AérotechniqueFR6 papers
- Laboratoire de Mathématiques et ApplicationsFR6 papers
- Institut de Chimie des Milieux et des Matériaux de PoitiersFR3 papers
- La Rochelle UniversitéFR3 papers
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Showing 2014 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2014
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…
cond-mat.mtrl-sci2014
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…