Cruz Argüello Julio Cesar,
2020
Revistas indexadas
Investigation on Mo-doped SnO2 for potential use in magnetoelectronic applications: The DFT framework
34
QUIMICA
QUIMICA INORGANICA
MECANISMOS DE REACCIONES INORGANICAS
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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