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- Title
First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe.
- Authors
Doumi, B.; Tadjer, A.; Dahmane, F.; Djedid, A.; Yakoubi, A.; Barkat, Y.; Ould Kada, M.; Sayede, A.; Hamada, L.
- Abstract
We have investigated the electronic structure and half-metallic ferromagnetism in zinc blende phase of BeVM (M=S, Se, Te) at concentration x=0.125 by employing a first-principles calculations within the framework of density functional theory (DFT) based on the linearized augmented plane wave method (FP-LAPW), as implanted in the WIEN2k code with generalized gradient approximation functional proposed by Wu and Cohen (WC-GGA). The electronic properties exhibit half-metallic behavior. So the density of states shows the hybridization between the p (S, Se, Te) and 3d (V) states that creates the antibonding states in the gap, which stabilizes the ferromagnetic ground state associated with the double-exchange mechanism, whereas the spin polarized band structures depict half-metallic gap that increases from BeVS to BeVSe to BeVTe. These compounds are robust half-metallic ferromagnets with spin polarization of 100 % and predicted to be potential candidates for spin injection applications in spintronic devices. Therefore, our predictions require an experimental confirmation in the future.
- Subjects
SPINTRONICS; FERROMAGNETISM; SEMICONDUCTOR doping; SPIN polarization; GROUND state (Quantum mechanics); VANADIUM; CHALCOGENIDES
- Publication
Journal of Superconductivity & Novel Magnetism, 2014, Vol 27, Issue 2, p293
- ISSN
1557-1939
- Publication type
Article
- DOI
10.1007/s10948-013-2401-3