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

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4917584· OSTI ID:22490185

Puvaneswari, S. ^[1]; Priyanga, G. Sudha; Santhosh, M. ^[2]

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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)

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.

• OSTI ID: 22490185
• Journal Information: AIP Conference Proceedings, Vol. 1665, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

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