Theoretical Study of Magnetic Ordering of Cu2Sb-type Intermetallic Compounds

Kazuko Motizuki, Masakatsu Suzuki, Masafumi Shirai

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

Electronic band structures of the Cu2Sb-type intermetallic compounds are calculated by using a self-consistent augmented plane wave (APW) or a linearized APW (LAPW) method. In order to clarify the driving forces for different kinds of magnetic orderings in the Cu2Sb-type compounds, the instability of the non-magnetic phase against formationof the magnetic orderings are studied on the basis of the Hubbard Hamiltonian. The magnetic phase diagram is constructed as a function of the intra-atomic Coulomb interaction and the electron number. The bonding nature of the electronic band near the Fermi level as well as a nesting effect of the Fermi surface plays the important role in causing thedifferent kinds of magnetic orderings observed in the Cu2Sb-type compounds.

Original languageEnglish
Pages (from-to)221-226
Number of pages6
JournalJapanese journal of applied physics
Volume32
Issue numberS3
DOIs
Publication statusPublished - 1993 Jan
Externally publishedYes

Keywords

  • APW method
  • Bond order
  • CuSb-type structure
  • Electronic band structure
  • Hartree-Fock approximation
  • Hubbard Hamiltonian
  • LAPW method
  • Magnetic ordering

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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