79 citations · 143 across the 7 of their papers we have counts for
10 papers
Ultrahigh-Pressure Magnesium Hydrosilicates as Reservoirs of Water in Early Earth
Han-Fei Li, Artem R. Oganov, Haixu Cui +3
The origin of water on the Earth is a long-standing mystery, requiring a comprehensive search for hydrous compounds, stable at conditions of the deep Earth and made of Earth-abunda…
Negative linear compressibility and unusual dynamic behaviors of NaB3
Xin-Ling He, Shu-Ning Pan, Yue Chen +7
First-principles calculations reveal that sodium boride (NaB3) undergoes a phase transition from a tetragonal P4/mbm phase to an orthorhombic Pbam phase at about 16 GPa, accompanie…
Helium Induced Nitrogen Salt at High Pressure
Jingyu Hou, Xiao-Ji Weng, Artem R. Oganov +6
The energy landscape of helium-nitrogen mixtures is explored by ab initio evolutionary searches, which predicted several stable helium-nitrogen compounds in the pressure range from…
Theoretical study of the pressure-induced structure, phase transition, mechanical and electronic properties in the V-N system
Jin Zhang, Xinfeng Li, Xiao Dong +2
Stable compounds in the V-N system are systematically searched and four new high-pressure phases are found, including C2/m-VN, Pbam-VN, Pnma-VN and I4/mcm-VN. V…
High-Temperature Superconductivity in the Ti--H System at High Pressures
Jin Zhang, Jeffrey M. McMahon, Artem R. Oganov +4
Search for stable high-pressure compounds in the Ti--H system reveals the existence of titanium hydrides with new stoichiometries, including Ibam-TiH, I4/m-TiH,…
Magnetic borophenes from evolutionary search
Meng-Hong Zhu, Xiao-Ji Weng, Guoying Gao +9
A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materia…