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

Abstract

The goal of this paper is to study the effect of the small amount of molybdenum-doped [Formula: see text] 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 [Formula: see text] is found optimal in many studies related to other fields. The ferromagnetic stability is observed in [Formula: see text] system, since the [Formula: see text] 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-field approximation (MFA) we predict the Curie temperature, as an obtained value, the [Formula: see text] K, consequently, the present system showed potential promise for real applications.