Artículo

Spinelectronic investigation of the quaternary vanadium fluoride Rb2NaVF6: Ab-initio method

Berber, M.; Bouzouira, N.; Abid, H.; Boudali, A.; Moujri, H.

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

Berber, M., et al. (2020). Spinelectronic investigation of the quaternary vanadium fluoride Rb2NaVF6: Ab-initio method. Revista Mexicana de Física; Vol 66, No 5 Sept-Oct: 604-609. Recuperado de https://repositorio.unam.mx/contenidos/4108380

Descripción del recurso

Autor(es)
Berber, M.; Bouzouira, N.; Abid, H.; Boudali, A.; Moujri, H.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Spinelectronic investigation of the quaternary vanadium fluoride Rb2NaVF6: Ab-initio method
Fecha
2020-09-01
Resumen
In this study, we have investigated the structural, electronic, and magnetic properties of the Rb2NaVF6 compound. We have performed our calculations by the use of first-principle methods based on spin-polarized density functional theory, where the electronic exchange-correlation potential is treated by the generalized gradient approximation GGA- PBEsol coupled with the improved TB-mBJ approach. The calculated structural parameters of Rb2NaVF6 are in good agreement with the available experimental data. Rb2NaVF6 exhibits a half-metallic ferromagnetic feature with a spin polarization of 100 % at the Fermi level and a direct large half-metallic gap of 3.582 eV. The total magnetic moments are 2 μB. This material is half-metallic ferromagnets, and it can be potential candidates for spintronics applications at a higher temperature.
Tema
DFT; TB-mBJ; Electronic structures; Half-metallic ferromagnetic
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)

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