341 citations · 739 across the 18 of their papers we have counts for
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High-pressure structures and superconductivity of bismuth hydrides
Yanbin Ma, Defang Duan, Da Li +7
We have systematically searched for the ground state structures of bismuth hydrides based on evolutionary algorithm method and particle swarm optimization algorithm method. Given o…
Pressure-induced reversible phase transition and amorphization of CHNHPbI
Kai Wang, Ran Liu, Yuancun Qiao +4
Recent advances of highly efficient solar cells based on organic-inorganic halide perovskites have triggered intense research efforts to establish the fundamental properties of the…
The unexpected binding and superconductivity in SbH4 at high pressure
Yanbin Ma, Defang Duan, Da Li +7
The semimetal antimony (Sb) element doped into hydrogen has been performed theoretically to explored high-pressure crystal structure and superconductivity of antimony hydrides. The…
Crossover from Metal to Insulator in Dense Lithium-Rich Compound
Xilian Jin, Xiao-Jia Chen, Huadi Zhang +7
Crystal structures of compounds are explored through \emph{ab} \emph{initio} evolutionary methodology. Phase transition from metal to semimetal and semiconductor,…
Decomposition of solid hydrogen bromide at high pressure
Defang Duan, Fubo Tian, Xiaoli Huang +6
The stability of different stoichiometric HBr (=1-7) compounds under pressure are extensively studied using density functional theory calculations. Five new energetically st…
Phase diagram and superconductivity of polonium hydrides under high pressure
Yunxian Liu, Defang Duan, Fubo Tian +8
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the dens…