Electronic structure and magnetism of transition-metal mononitrides

H. Shimizu, M. Shirai, N. Suzuki

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


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 languageEnglish
Pages (from-to)546-547
Number of pages2
JournalPhysica B: Condensed Matter
Publication statusPublished - 1997 Jul


  • Antiferromagnetism
  • Band structure calculation
  • Ferromagnetism
  • Transition metal mononitride


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