Lattice distortion and magnetism of Fe impurity in Cu and Ag

Yuichi Hashi, Zhi Qiang Li, Kaoru Ohno, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


First-principles electronic-structure calculations are performed for clusters representing an Fe impurity in the metal hosts Cu and Ag. The discrete-variational method is employed in the framework of local-spin-density theory. The host lattice distortions are taken into account in discussing the local magnetic moment formation and electronic properties. The obtained numerical results are compared with the previous theoretical and experimental studies.

Original languageEnglish
Pages (from-to)279-282
Number of pages4
JournalMaterials Transactions, JIM
Issue number3
Publication statusPublished - 1996


  • Lda calculation
  • Magnetism
  • Transition impurity

ASJC Scopus subject areas

  • Engineering(all)


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