Registrado por

Cruz Argüello Julio Cesar

Tipo de artículo

Revistas indexadas

Título de artículo

Investigation on Mo-doped SnO2 for potential use in magnetoelectronic applications: The DFT framework

Volúmen

34

Número de registro

Campo

QUIMICA

Disciplina

QUIMICA INORGANICA

Subdisciplina

MECANISMOS DE REACCIONES INORGANICAS

Resumen

The goal of this paper is to study the eect of the small amount of molybdenum-doped SnO2 on the magnetism behavior of that system. We utilized the density functional theory (DFT): DFT framework within MACHIKANEYAMA2002V09 package based on Coherent Potential Approximation (CPA). Inducing the magnetism in the diluted magnetic semiconductors (DMS) with a low dopant concentration at adequate room-temperature is a challenge, so, we restricted the Mo impurity at 2%. In addition, the small amount of Mo-doped SnO2 is found optimal in many studies related to other elds. The ferromagnetic stability is observed in Sn0:98Mo0:02O2 system, since the t+ 2g state of Mo element is found around the Fermi level and is 100% spin polarized, the half-metallic characteristic is useful in magnetoelectronic applications. Within the mean- eld approximation (MFA) we predict the Curie temperature, as an obtained value, the TC = 372:78 K, consequently, the present system showed potential promise for real applications.

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Fuente

Sistema Estatal de Información y Documentación Científica y Tecnológica

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5