Half metallic ferromagnetism in alkali metal nitrides MN (M = Rb, Cs): A first principles study
Journal Article
·
· AIP Conference Proceedings
- Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu-628003 (India)
The structural, electronic and elastic properties of two alkali metal nitrides (MN: M= Rb, Cs) are investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure the two nitrides are stable in ferromagnetic state with CsCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that these materials are half metallic in nature. A pressure-induced structural phase transition from CsCl to ZB phase is observed in RbN and CsN.
- OSTI ID:
- 22269253
- Journal Information:
- AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1591; ISSN APCPCS; ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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