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- W944289639 abstract "The structural, electronic and mechanical properties of rare earth nitride ErN is investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure ErN 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 ErN is half metallic at normal pressure. A pressure-induced structural phase transition from NaCl (B1) to CsCl (B2) phase is observed in ErN. Ferromagnetic to non magnetic phase transition is predicted in ErN at high pressure." @default.
- W944289639 created "2016-06-24" @default.
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- W944289639 date "2015-01-01" @default.
- W944289639 modified "2023-09-23" @default.
- W944289639 title "Structural, electronic and mechanical properties of rare earth nitride-ErN: A first principles study" @default.
- W944289639 doi "https://doi.org/10.1063/1.4918013" @default.
- W944289639 hasPublicationYear "2015" @default.
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