Cluster calculations of rare-earth ions in semiconductors

Riichiro Saito, Tadamasa Kimura

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


Electronic structures of 4f electrons of the rare-earth ions Er3+ and Yb3+ in the semiconductors InP, GaP, and GaAs are calculated on the basis of a self-consistent, local-density-functional DV-X cluster calculation. The calculated results show that one-electron-energy states of the 4f electrons of Er3+ and Yb3+ ions appear in the energy gap of the semiconductors. Using the self-consistent wave functions of 4f electrons, we estimate the spin-orbit interaction of the multiplet of 4f electrons of rare-earth ions.

Original languageEnglish
Pages (from-to)1423-1428
Number of pages6
JournalPhysical Review B
Issue number3
Publication statusPublished - 1992
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics


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