Electronic structures and magnetic performance related to spintronics of Sr0.875Ti0.125S
Résumé
In this study, we have used the first-principle approaches of density functional theory to determine the electronic and magnetic performances related to spintronics applications of titanium (Ti)-substituted SrS such as Sr1−xTixS at concentration x = 0.125. The results of electronic and magnetic properties by using TB–mBJ potential revealed that Sr0.875Ti0.125S compound is half-metallic ferromagnetic with a half-metallic gap and a spin polarization of 100%. The ferromagnetic nature of Sr0.875Ti0.125S material is confirmed by the ferromagnetic coupling between magnetic moments of Ti, Sr and S atoms. The total magnetic moment of integer Bohr magneton of 2 μB and the large half-metallic gap of 1.245 suggest that this compound is a true half-metallic ferromagnet.
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