Structural, electronic, and optical properties of AlNxSb1−x alloys through TB–mBJ–PBEsol: DFT study
A. Bentayeb, F. Driss Khodja, Siwar Chibani, Norredine Marbouh, Belmorsli Bekki, Bouhafs Khalfallah, Mohammed Elkeurti
Abstract
A. Bentayeb, F. Driss Khodja, Siwar Chibani, Norredine Marbouh, Belmorsli Bekki, Bouhafs Khalfallah, Mohammed Elkeurti
Abstract
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Key concepts: WIEN2k, Ternary operation, Bulk modulus, Lattice constant, Density functional theory, Materials science, Band gap, Thermodynamics