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Strong Correlation Effect in Ferrimagnetic Half-Metallic V2CoAl and V2CoGa Heusler Compounds.
- Source :
-
Journal of Superconductivity & Novel Magnetism . Aug2018, Vol. 31 Issue 8, p2491-2500. 10p. - Publication Year :
- 2018
-
Abstract
- We present first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW) method to investigate the structural, elastic, electronic, and magnetic properties of the Heusler compounds V2CoAl and V2CoGa. We explore different magnetic configurations in both regular and inverse Heusler structures: the Cu2MnAl-type and Hg2CuTi-type structures respectively. Our compounds are found to be ferrimagnets in the inverse Heusler structure. To take into account the effects of the strong correlation among the localized d-states, we perform a calculation using the GGA+U method (the general gradient approximation with the Hubbard on-site Coulomb correction U). Then we show that both compounds exhibit a half-metallic character and have a magnetic moment of 2.00 μB per formula unit. This latter statement is coherent with the generalized Slater-Pauling rule (SP). In terms of the band structure calculations, we explain the formation of the indirect energy band gaps in the spin-majority channels. We also use the mean-field approximation (MFA) to discuss the magnetic exchange couplings and predict the Curie temperature for both compounds. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 15571939
- Volume :
- 31
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Superconductivity & Novel Magnetism
- Publication Type :
- Academic Journal
- Accession number :
- 130645421
- Full Text :
- https://doi.org/10.1007/s10948-017-4507-5