Artículo

Structural, elastic, electronic, and magnetic properties of quaternary alloys BBi0.75Mn0.125N0.125: a first-principles study

Tab, S.; Boudali, A.; Berber, M.; Driss khodja, M.; El Hachemi, O. Lhaj; Moujri.

Facultad de Ciencias, UNAM, publicado en Revista Mexicana de Física, y cosechado de Revistas UNAM

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Procedencia del contenido

Entidad o dependencia
Facultad de Ciencias, UNAM
Revista
Repositorio
Contacto
Revistas UNAM. Dirección General de Publicaciones y Fomento Editorial, UNAM en revistas@unam.mx

Cita

Tab, S., et al. (2020). Structural, elastic, electronic, and magnetic properties of quaternary alloys BBi0.75Mn0.125N0.125: a first-principles study. Revista Mexicana de Física; Vol 66, No 5 Sept-Oct: 627-631. Recuperado de https://repositorio.unam.mx/contenidos/4107431

Descripción del recurso

Autor(es)
Tab, S.; Boudali, A.; Berber, M.; Driss khodja, M.; El Hachemi, O. Lhaj; Moujri.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Structural, elastic, electronic, and magnetic properties of quaternary alloys BBi0.75Mn0.125N0.125: a first-principles study
Fecha
2020-09-01
Resumen
In this study, we have employed the first-principle methods based on density functional theory to investigate the structural, elastic, electronic and magnetic properties of BBi0.75Mn0.125N0.125. The exchange and correlation potential are described by the generalized gradient approximation of Perdew, Burke and Ernzerhof (GGA-PBEsol) + SOC coupled with TB-mBJ approaches. The studied structure show that the compound BBi0.75Mn0.125N0.125 is stable in ferromagnetic phase, the elastic property indicate that the structure is brittle and mechanically stable. The half metallic description is predicted with energy spin band gap in spin up channel. The structure attributed half-metallic ferromagnetism could be suitable for spintronics devices. 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.
Tema
First-Principles Computation, GGA-PBEsol Approximation, SOC, TB-mBJ, Magnetic properties.
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)

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