Theoretical studies of g factors for V³+ in ZnS, ZnSe and ZnTe crystals

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Sep:95:15-7. doi: 10.1016/j.saa.2012.04.054. Epub 2012 Apr 26.

Abstract

In this paper, complete high-order perturbation formulas are established based not only on the contributions of the spin-orbit coupling effect of the central ion and the ligands, but also on that of the charge-transfer levels. The electron paramagnetic resonance g-factors of ZnS:V(3+), ZnSe:V(3+), and ZnTe:V(3+) crystals are calculated from the formulas. The calculations of the EPR g-factors agree well with the experimental values. The contribution rate of the charge-transfer levels (|Δg(T)/Δg(F)|) are 20.16%, 24.86%, and 24.87% for ZnS:V(3+), ZnSe:V(3+), and ZnTe:V(3+) crystals, respectively.

MeSH terms

  • Crystallization
  • Ions
  • Models, Theoretical*
  • Molecular Conformation*
  • Selenium Compounds / chemistry*
  • Sulfides / chemistry*
  • Tellurium / chemistry*
  • Zinc Compounds / chemistry*

Substances

  • Ions
  • Selenium Compounds
  • Sulfides
  • Zinc Compounds
  • zinc sulfide
  • Tellurium
  • zinc selenide