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First-principles investigations on ferromagnetic behaviour of Be1−xVxZ (Z = S, Se and Te) (x = 0.25).
- Source :
-
Superlattices & Microstructures . Dec2015, Vol. 88, p139-149. 11p. - Publication Year :
- 2015
-
Abstract
- The structural, electronic and magnetic properties of beryllium chalcogenides such as BeS, BeSe and BeTe doped with magnetic vanadium (V) impurity as ternary Be 1− x V x Z (Z = S, Se and Te) compounds in zinc blende phase have been performed at concentration x = 0.25, by employing first-principles calculations of full-potential linearized augmented plane-wave method within the framework of density functional theory. The electronic structures of Be 0.75 V 0.25 Z (Z = S, Se and Te) compounds revealed a half-metallic ferromagnetic character with 100% spin polarized that emerges this behavior results from the band gap of minority spin and metallic nature of majority spin due to a strong hybridization between 3 d (V) and p (S, Se and Te) states dominating at Fermi level. According to the results of magnetic properties calculations, the total magnetic moments of Be 0.75 V 0.25 Z (Z = S, Se and Te) are integers Bohr magneton of 3 μ B that confirms the half-metallic behavior of these compounds. Therefore, the Be 0.75 V 0.25 Z (Z = S, Se and Te) compounds seem to be potential candidates to explore half-metallic ferromagnetism property for near future applications in spintronics. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 07496036
- Volume :
- 88
- Database :
- Academic Search Index
- Journal :
- Superlattices & Microstructures
- Publication Type :
- Academic Journal
- Accession number :
- 111488431
- Full Text :
- https://doi.org/10.1016/j.spmi.2015.09.008