First-principles calculations of half-metallic zinc-blende type superlattices

M. Geshi, Masafumi Shirai, K. Kusakabe, N. Suzuki

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


Half-metallic zinc-blende superlattices of CrAs/GaAs, MnAs/GaAs and VAs/GaAs have been calculated by a first-principles techniques to investigate the dependence of electronic properties and related ones on transition metals. For all cases half-metallicity has been preserved. The chemical shifts have been investigated and the difference at the interface is caused by the difference of the electronic configuration. The potential barriers has been estimated by using the data of the chemical shift.

Original languageEnglish
Pages (from-to)143-146
Number of pages4
JournalComputational Materials Science
Issue number1-2
Publication statusPublished - 2006 May

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics


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