Journal
COMMUNICATIONS IN THEORETICAL PHYSICS
Volume 63, Issue 5, Pages 641-647Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0253-6102/63/5/641
Keywords
exchange energy; Debye temperature; Curie temperature; Co-2 VAl; GGA plus U
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Funding
- simulation of Nano Physics Lab center of Kermanshah Branch, Islamic Azad University
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By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co-2 VAl are investigated. The results indicate that Ferromagnetic (FM) phase is more stable than Anti-Ferromagnetic (AFM) and Non-magnetic (NM) ones. In addition, C-11-C-12 > 0, C-44 > 0, and B > 0 so Co-2 VAl is an elastically stable material with high Debye temperature. Also, the B/G ratio exhibits a ductility behavior. The relatively high Curie temperature provides it as a favorable material for spintronic application. It's electronic and magnetic properties are studied by GGA+U approach leading to a 100% spin polarization at Fermi level.
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