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Title: Effect of disorder on electronic and magnetic properties of Co{sub 2}VGa Heusler alloy

This paper presents the effect of disorder on electronic, magnetic and half-metallic properties of Co{sub 2}VGa Heusler alloy using density functional theory. Binary mixing is the most common form of atomic disorder in these compounds. We have considered three types of disorders: DO{sub 3}, A2 and B2 disorder which corresponds to X-Y, X-Z and Y-Z mixing respectively. After structural optimization, we found that A2 disorder has high formation energy and is most unlikely to occur. The half-metallic nature of the alloy is destroyed in presence of DO{sub 3} and A2 disorder. The destruction of half-metallicity is due to reconstruction of energy states. Also the loss of half-metallicity is accompanied by reversal of spin-polarization at the Fermi level. B2 disorder retains the half-metallic nature of the alloy but spin-polarization value is reduced as compared to the ordered alloy.
Authors:
 [1] ;  [2] ;  [1]
  1. Department of Physics, Panjab University, Chandigarh, India-160014 (India)
  2. (India)
Publication Date:
OSTI Identifier:
22488844
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1675; Journal Issue: 1; Conference: AMRP-2015: 4. national conference on advanced materials and radiation physics, Longowal (India), 13-14 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; COMPARATIVE EVALUATIONS; COPPER BASE ALLOYS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FERMI LEVEL; FORMATION HEAT; GALLIUM ALLOYS; HEUSLER ALLOYS; MAGNETIC PROPERTIES; METALLICITY; OPTIMIZATION; SEMIMETALS; SPIN ORIENTATION