Electronic structure of Fe2CrSn |
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Authors: | Aparna Chakrabarti S.W. D'Souza S.R. Barman |
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Affiliation: | 1. Raja Ramanna Centre for Advanced Technology, Indore 452013, India;2. UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, India |
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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 2μB, with Cr carrying a large local moment that is oppositely aligned to that of Fe. |
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Keywords: | Electronic structure Ferrimagnetic materials Density functional theory |
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