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

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.
Authors:
; ;  [1]
  1. Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior - 474011 (India)
Publication Date:
OSTI Identifier:
22269344
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; ELECTRONIC STRUCTURE; ELECTRONS; HEUSLER ALLOYS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SPIN; STABILITY