Electronic structures and magnetic performance related to spintronics of Sr_0.875Ti_0.125S

Ali Bourega (1) , Bendouma Doumi (2) , Allel Mokaddem (3) , Adlane Sayede (4) , Abdelkader Tadjer

1 Laboratory of Physico-Chemical Studies, Dr. Tahar Moulay University of Saida, 20000, Saida, Algeria
2 Department of Physics, Faculty of Sciences, Dr. Tahar Moulay University of Saida, 20000, Saida, Algeria
3 Laboratoire d’Instrumentation et Matériaux Avancés, Centre Universitaire Nour Bachir El Bayadh, BP 900 route Aflou, 32000, El Bayadh, AlgeriaEl Bayadh
4 UCCS Équipe Couches Minces & Nanomatériaux

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 Sr_1−xTi_xS at concentration x = 0.125. The results of electronic and magnetic properties by using TB–mBJ potential revealed that Sr_0.875Ti_0.125S compound is half-metallic ferromagnetic with a half-metallic gap and a spin polarization of 100%. The ferromagnetic nature of Sr_0.875Ti_0.125S 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.

Domaines: Chimie; Matériaux; Autre

Ali Bourega, Bendouma Doumi, Allel Mokaddem, Adlane Sayede, Abdelkader Tadjer. Electronic structures and magnetic performance related to spintronics of Sr_0.875Ti_0.125S. Optical and Quantum Electronics, 2019, 51 (12), ⟨10.1007/s11082-019-2107-2⟩. ⟨hal-02449162⟩