Ab initio predicted elastic and thermodynamic properties of Imm2-BN under high pressure

Fu Zhi-Fen,Ma Jian-Li,Wei Qun,Liu Peng,Zhou Jian-Ping,Li Xue-Chao,Wang Bing

Chinese Journal of Physics（2018）

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摘要

•The elastic properties of Imm2-BN under high pressure are investigated.•Imm2-BN is mechanical and dynamical stable up to 90 GPa.•Imm2-BN exhibits larger elastic anisotropy under high pressure.•The thermodynamic properties of Imm2-BN in wide pressure and temperature ranges are predicted.

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关键词

Elastic properties,Thermodynamic properties,Imm2-BN,Ab initio calculations

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