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Journal of Superconductivity and Novel Magnetism

, Volume 31, Issue 8, pp 2491–2500 | Cite as

Strong Correlation Effect in Ferrimagnetic Half-Metallic V2CoAl and V2CoGa Heusler Compounds

  • Fares Faid
  • Mokhtar Elchikh
  • Soumia Bahlouli
  • Karima Kaddar
Original Paper
  • 80 Downloads

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.

Keywords

Heuslers V2CoAl V2CoGa FP-LAPW GGA+U Ferrimagnetic Half-metallic MFA Curie temperature 

Notes

Acknowledgments

We are grateful to Professors M. Ferhat and M. Meinert for their helpful discussions and suggestions on the topic of this paper and to Professor J.-M. Richard for comments on the manuscript. We also thank the unknown reviewers for their valuable remarks and comments. Part of the calculations were conducted on USTOMB IBN BAJA and ENPO UCI Al-Farabi Supercomputers.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2017

Authors and Affiliations

  1. 1.Laboratoire de Physique des Matériaux et des Fluides, Faculté de PhysiqueUniversité des Sciences et de la Technologie d’OranBir El DjirAlgeria

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