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Electronic and magnetic properties of Ba2CoWO6: First principal investigation

Auteurs : H. Bouhani benziane, O. Sahnoun, M. SAHNOUN, K. Hebali
Année : 2016
Domaine : Sciences des matériaux
Type : Communication
Conférence: 7th African Conference on Non Destructive Testing ACNDT 2016 & the 5th International Conference on NDT and Materials Industry and Alloys (IC-WNDT-MI)
Résumé en PDF : (résumé en pdf)
Fulltext en PDF : (.pdf)
Mots clés : ab initio, FP-LAPW, Electronic structure, Double perovskite

Résumé :

We report an investigation of the structural; electronic and magnetic properties of a new double perovskite Ba2CoWO6 by means of density functional calculations (DFT); within the generalized gradient approximation (GGA). The lattice constants of Ba2CoWO6 was obtained and found toagree very well with published experimental reports. The total and partial density of state are calculated and discussed. The results reveal that the Ba2CoWO6 has stable antiferromagnetic character. Our results predicts that Ba2CoWO6 have metallic nature.