Arash Boochani, Heidar Khosravi, Jabbar Khodadadi, Shahram Solaymani, Masoud Majidiyan Sarmazdeh, Rohollah Taghavi Mendi, Sayed Mohammad Elahi
理论物理通讯. 2015, 63(05): 641-647.
By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co2VAl 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 Co2VAl 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.