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First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe.
- Source :
- Journal of Superconductivity & Novel Magnetism; Feb2014, Vol. 27 Issue 2, p293-300, 8p
- Publication Year :
- 2014
-
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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 15571939
- Volume :
- 27
- Issue :
- 2
- Database :
- Complementary Index
- Journal :
- Journal of Superconductivity & Novel Magnetism
- Publication Type :
- Academic Journal
- Accession number :
- 93675492
- Full Text :
- https://doi.org/10.1007/s10948-013-2401-3