most citedA first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation

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cond-mat.mtrl-sci2019★ 1 cited

A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation

Ya-Fan Zhao, Shou-Rui Li, Xing-Yu Gao +2

We have performed first principles study for bismuth crystal structure at pressure from 0~14 GPa based on structure search and quasi-harmonic approximation. A new stable phase with…