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Title: Structural, electronic, elastic and magnetic properties of RuFe{sub 3}N and OsFe{sub 3}N: A first principle study

The structural, electronic, elastic and magnetic properties of the perovskite structure of RuFe{sub 3}N, and OsFe{sub 3}N have been reported using the VASP within the gradient generalized approximation. Total energy calculations are performed using both spin and non-spin polarized calculations and it is found that, at ambient pressure both RuFe{sub 3}N and OsFe{sub 3}N are stable in ferromagnetic phase. The electronic structure reveals that both RuFe{sub 3}N and OsFe{sub 3}N are metallic in nature at ambient pressure.
Authors:
 [1] ; ; ;  [2]
  1. Department of Physics, E.M.G. Yadava Women’s College, Madurai, Tamilnadu-625014 (India)
  2. Department of Physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India)
Publication Date:
OSTI Identifier:
22490185
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 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; APPROXIMATIONS; CUBIC LATTICES; ELASTICITY; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; FERROMAGNETISM; IRON NITRIDES; MAGNETIC PROPERTIES; OSMIUM COMPOUNDS; PEROVSKITE; PRESSURE DEPENDENCE; RUTHENIUM COMPOUNDS; SPIN; SPIN ORIENTATION