First principles study of the new half-metallicferromagnetic full-Heusler alloysCo2CrSi1_xGex: An ab-initio study

Type : Article de conférence
Auteur(s) :  I. Asfour, D. Rached
Année :  2016
Domaine : Sciences des matériaux
Conférence: 7th African Conference on Non Destructive Testing ACNDT 2016 & the 5th International Conference on NDT and Materials Industry and Alloys (IC-WNDT-MI)
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Fulltext en PDF :  (.pdf)
Mots clés :  DFT, wien2k, GGA, Heusler, Debye

Résumé : 

We have studied the structural, electronic, elastic,magnetic, thermal and thermodynamic property of thequaternary Heusler alloys Co2CrSi1-xGe(x = 0, 0.25, 0.5, 0.75, 1)with the linearized augmented plane wave method based ondensity functional theory (DFT)and implemented in wien2kcode. For exchange correlation potential we have used thegeneralized gradient approximation (GGA) of Perdew et al. Ourresults provide a theoretical study for the mixed HeuslerCo2CrSi1-xGexx(0