Structural, electronic, and optical properties of quaternary alloys Al0.50Ga0.50NxSb1-x: a first-principles study



Título del documento: Structural, electronic, and optical properties of quaternary alloys Al0.50Ga0.50NxSb1-x: a first-principles study
Revue: Revista mexicana de física
Base de datos: PERIÓDICA
Número de sistema: 000454031
ISSN: 0035-001X
Autores: 1
1
1
2
3
3
Instituciones: 1Centre Universitaire Nour Bachir El Bayadh, El Bayadh. Argelia
2University of Saida, Saida. Argelia
3Sidi Mohamed Ben Abdellah University, Fez. Marruecos
Año:
Periodo: Nov-Dic
Volumen: 66
Número: 6
Paginación: 790-796
País: México
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico, descriptivo
Resumen en inglés In this study, we have employed the first-principle methods based on density functional theory to investigate the structural, electronic, and optical properties of Al0.50Ga0.50NxSb1-x in zincblende structure. The exchange and correlation potential is described by the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA-PBEsol) coupled with TB-mBJ approaches. The studied structures show that all structures are semiconductors and have a direct bandgap except Al0.50Ga0.50N0.25Sb0.75, which has a semi-metallic behavior. The optical properties such as refractive index, extinction coefficient, and optical conductivity are discussed in detail. Our result shows these materials are considered as promising materials for optoelectronic applications in the visible and infrared region. To our knowledge, this is the first time that a study has been done on this alloy, and we would like it to serve as a reference for the next studies
Disciplinas: Física y astronomía
Palabras clave: Optica,
Computación,
Aproximación GGA-PBEsol,
Propiedades ópticas
Keyword: Optics,
First-principles computation,
GGA-PBEsol approximation,
Optical properties
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