669 citations · 959 across the 15 of their papers we have counts for
6 papers · 1 filter
Superconductivity of novel tin hydrides (SnH) under pressure
M. Mahdi Davari Esfahani, Zhenhai Wang, Artem R. Oganov +5
With the motivation of discovering high-temperature superconductors, evolutionary algorithm is employed to search for all stable compounds in the Sn-H system. In addition to the tr…
Prediction of Novel Stable 2D-Silicon with Fivefold Coordination
Zhenhai Wang, Mingwen Zhao, Xiang-Feng Zhou +6
Silicene, an analogue of graphene, was so far predicted to be the only two-dimensional silicon (2D-Si) with massless Dirac fermions. Here we predict a brand new 2D-Si Dirac semimet…
Pressure induced novel compounds in the Hf-O system from first-principles calculations
Jin Zhang, Artem R. Oganov, Xinfeng Li +3
Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf5O2, Hf3O2, HfO a…
Nitrogen oxides under pressure stability, ionization, polymerization, and superconductivity
Dongxu Li, Artem R. Oganov, Xiao Dong +4
Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We…
Phagraphene: A Low-energy Graphene Allotrope composed of 5-6-7 Carbon Rings with Distorted Dirac Cones
Zhenhai Wang, Xiang-Feng Zhou, Xiaoming Zhang +4
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7…
Novel lithium-nitrogen compounds at ambient and high pressures
Yanqing Shen, Artem R. Oganov, Guangri Qian +3
Using ab initio evolutionary simulations, we predict the existence of five novel stable Li-N compounds at pressures from 0 to 100 GPa (Li13N, Li5N, Li3N2, LiN2, and LiN5). Structur…