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Title: Structural and magnetic stability of Fe{sub 2}NiSi

Journal Article · · AIP Conference Proceedings
DOI:https://doi.org/10.1063/1.4873010· OSTI ID:22269344
 [1]
  1. Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior - 474011 (India)

Full-potential ab-initio calculations in the stable F-43m phase have been performed to investigate the structural and magnetic properties of Fe{sub 2}NiSi inverse Heusler alloys. The spin magnetic moment distributions show that present material is ferromagnetic in stable F-43m phase. Further, spin resolved electronic structure calculations show that the discrepancy in magnetic moments of Fe-I and Fe-II depend upon the hybridization of Fe with the main group element. It is found that the main group electron concentration is predominantly responsible in establishing the magnetic properties, formation of magnetic moments and the magnetic order for present alloy.

OSTI ID:
22269344
Journal Information:
AIP Conference Proceedings, Vol. 1591, Issue 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
Country of Publication:
United States
Language:
English