Electronic and magnetic properties of TiO2 (co)-doped with (V, Mn)

The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the l...

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Bibliographic Details
Published inMaterials research express Vol. 4; no. 12
Main Authors Rami, R, Rkhioui, N, Ahl Laamara, R, Drissi, L B
Format Journal Article
LanguageEnglish
Published IOP Publishing 01.12.2017
Subjects
Curie temperature
electronic structure
magnetic properties
TiO
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Summary:The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the local density approximation (LDA). The density of states are plotted in the energy diagram for different concentrations of dopants. The magnetic moments and half-metallic character of the doped compounds are investigated and the mechanism of exchange interaction is determined. In addition, the Curie temperature is given for different concentrations.
Bibliography:MRX-105183.R1
ISSN:2053-1591
DOI:10.1088/2053-1591/aa9e9f