A first principles study of structural, electronic mechanical and magnetic properties of rare earth nitride:TmN

Journal Article · Mon May 23 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4947629· OSTI ID:22606241

Murugan, A.; Santhosh, M.; Manikandan, M. ^[1]

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1. Department of Physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India)

The structural, electronic and mechanical properties of rare earth nitride TmN is investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure TmN is stable in the ferromagnetic state with NaCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that TmN is metallic at normal pressure. Ferromagnetic to non magnetic phase transition is predicted in TmN at high pressure.

• OSTI ID: 22606241
• Journal Information: AIP Conference Proceedings, Vol. 1731, Issue 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); 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
CRYSTAL STRUCTURE
DENSITY
DENSITY FUNCTIONAL METHOD
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
LATTICE PARAMETERS
MAGNETIC PROPERTIES
MECHANICAL PROPERTIES
PHASE TRANSFORMATIONS
RARE EARTHS
SIMULATION
SODIUM CHLORIDES
THULIUM NITRIDES