Optical response functions and thermodynamic stability of BSb1-xNx ternary alloys in zinc blende structure

Djamel Bouragba,Miloud Benchehima,Hamza Abid,Ameur Djili

Optik（2020）

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摘要

•Theoretical study of the structural and optoelectronic properties of BSb1-xNx.•The thermodynamic stability of BSb1-xNx ternary alloys in zinc blende structure.•The calculated lattice constants by (GGa-BPEsol) show good agreement with the experimental.•The obtained TB-mBJ energy gaps show good agreement with the experimental.•Optical response functions have been also investigated in detail.

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关键词

BSb and BN binary compounds,Ternary alloys,Density functional theory,Thermodynamic stability,Gibbs free energy of mixing

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