Electronic band structures of NiAs-type compounds. I. Nonmagnetic state
- 10 February 1986
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 19 (4) , 495-509
- https://doi.org/10.1088/0022-3719/19/4/011
Abstract
Electronic band structures of several transition-metal pnictides and chalcogenides, MnAs, MnSb, CrAs, CrSb, VS and TiSe, having the NiAs-type crystal structure are calculated for the non-magnetic state by a self-consistent augmented-plane-wave (APW) method. The calculated energy dispersion and density of states are discussed in connection with magnetic ordering. The band structure of MnAs having the MnP-type structure is also calculated by the APW method.Keywords
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