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Electronic and magnetic properties of Ba2

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7th African Conference on Non Destructive Testing ACNDT 2016 & the 5th International Conference on NDT and Materials Industry and Alloys (IC-WNDT-MI)

2016

Electronic and magnetic properties of Ba 2 CoWO

6 : First principal investigation

H. Bouhani benziane, O. Sahnoun, M. SAHNOUN, K. Hebali

Abstract : 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 Ba2

CoWO6 have metallic nature.

Keywords : ab initio, FP-LAPW, Electronic structure, Double perovskite

Centre de Recherche en Technologies Industrielles - CRTI - www.crti.dz

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