Electronic structure and magnetism of transition-metal mononitrides

H. Shimizu; M. Shirai; N. Suzuki

doi:10.1016/S0921-4526(97)00223-8

Electronic structure and magnetism of transition-metal mononitrides

H. Shimizu, M. Shirai, N. Suzuki

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

We perform systematically FLAPW band calculations for transition-metal mononitrides MN (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). The equilibrium lattice constants are determined from the total energy calculations and the results are compared with the existing experimental data. We calculate also the hyperfine field at the Fe site in NaCl-type FeN, and effects of the defects of N atoms on the hyperfine field are discussed.

Original language	English
Pages (from-to)	546-547
Number of pages	2
Journal	Physica B: Condensed Matter
Volume	237-238
DOIs	https://doi.org/10.1016/S0921-4526(97)00223-8
Publication status	Published - 1997 Jul
Externally published	Yes

Keywords

Antiferromagnetism
Band structure calculation
Ferromagnetism
Transition metal mononitride

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

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AU - Shimizu, H.

AU - Shirai, M.

AU - Suzuki, N.

PY - 1997/7

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N2 - We perform systematically FLAPW band calculations for transition-metal mononitrides MN (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). The equilibrium lattice constants are determined from the total energy calculations and the results are compared with the existing experimental data. We calculate also the hyperfine field at the Fe site in NaCl-type FeN, and effects of the defects of N atoms on the hyperfine field are discussed.

AB - We perform systematically FLAPW band calculations for transition-metal mononitrides MN (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). The equilibrium lattice constants are determined from the total energy calculations and the results are compared with the existing experimental data. We calculate also the hyperfine field at the Fe site in NaCl-type FeN, and effects of the defects of N atoms on the hyperfine field are discussed.

KW - Antiferromagnetism

KW - Band structure calculation

KW - Ferromagnetism

KW - Transition metal mononitride

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JO - Physica B: Condensed Matter

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