Calculation of Half-Metal, Debye and Curie Temperatures of Co2VAl Compound: First Principles Study*Supported by the simulation of Nano Physics Lab center of Kermanshah Branch, Islamic Azad University. (1st May 2015)

• Record Type: Journal Article
• Authors: Boochani, Arash; Khosravi, Heidar; Khodadadi, Jabbar; Solaymani, Shahram; Sarmazdeh, Masoud Majidiyan; Mendi, Rohollah Taghavi; Elahi, Sayed Mohammad
• Is Part Of: Communications in theoretical physics. Volume 63:Number 5(2015:May)
• Page Start: 641
• Page End: 647
• Publication Date: 2015-05-01
• Subjects: 71.15.Mb -- 62.20.D -- 75.30.Et; exchange energy -- Debye temperature -- Curie temperature -- Co2VAl -- GGA+U; Physics -- Periodicals; 530.105
• Languages: English
• ISSNs: 0253-6102

Abstract

Abstract: By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co2 VAl are investigated. The results indicate that Ferromagnetic (FM) phase is more stable than Anti-Ferromagnetic (AFM) and Non-magnetic (NM) ones. In addition, C11 -C12 > 0, C44 > 0, and B > 0 so Co2 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.