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.
ASJC Scopus subject areas
- Condensed Matter Physics