Theoretical studies on the magnetic moments of iron nitrides in clouding Fe16N2

Akimasa Sakuma, Yutaka Sugita

Research output: Chapter in Book/Report/Conference proceedingConference contribution

11 Citations (Scopus)

Abstract

The spin-polarized band calculations for the iron nitrides, Fe3N, Fe4N and Fe16N2, have been performed with use of LMTO-ASA method in the frame of local spin density functional formalism. The results show that the most distant Fe atoms from N have the largest magnetic moment. The central role of the N atom is to bring about the large magnetic moments through the lattice expansion. Concurrently, the N atoms promote an itinerancy of electrons and then in turn prevent the exchange-splitting. This results in an Fe16N2 with the lowest N concentration having the largest magnetic moments.

Original languageEnglish
Title of host publicationMultilayers and Surfaces
EditorsB.T. Jonker, W.J.M. de Jonge, R.F.C. Farrow, C. Chappert, R. Clarke, al et al
PublisherPubl by Materials Research Society
Pages257-268
Number of pages12
ISBN (Print)1558992111
Publication statusPublished - 1993 Dec 1
Externally publishedYes
EventProceedings of the 1993 MRS Spring Meeting on Magnetic Ultrathin Films - San Francisco, CA, USA
Duration: 1993 Apr 121993 Apr 16

Publication series

NameMaterials Research Society Symposium Proceedings
Volume313
ISSN (Print)0272-9172

Other

OtherProceedings of the 1993 MRS Spring Meeting on Magnetic Ultrathin Films
CitySan Francisco, CA, USA
Period93/4/1293/4/16

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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  • Cite this

    Sakuma, A., & Sugita, Y. (1993). Theoretical studies on the magnetic moments of iron nitrides in clouding Fe16N2. In B. T. Jonker, W. J. M. de Jonge, R. F. C. Farrow, C. Chappert, R. Clarke, & A. et al (Eds.), Multilayers and Surfaces (pp. 257-268). (Materials Research Society Symposium Proceedings; Vol. 313). Publ by Materials Research Society.