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Electronic structure of Fe2CrSn
Authors:Aparna Chakrabarti  S.W. D'Souza  S.R. Barman
Affiliation:1. Raja Ramanna Centre for Advanced Technology, Indore 452013, India;2. UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, India
Abstract:
From the first principles calculation based on the density functional theory, we find that consideration of electron–electron correlation drives Fe2CrSn from a barely half-metallic state to a magnetic semiconductor. However, in both cases, the magnetic state remains ferrimagnetic with a total spin moment of 2μB2μB, with Cr carrying a large local moment that is oppositely aligned to that of Fe.
Keywords:Electronic structure   Ferrimagnetic materials   Density functional theory
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