Dynamic Jahn-Teller effect in the near-infrared spectra of Fe~(2+) ions in ZnS

摘要

The fine-structure splittings, the magnetic specific heat and susceptibility, and the Jahn-Teller couplings are performed for Fe~(2+) ions in ZnS by taking into account the cubic crystal-field interaction, the spin-orbit coupling associated with not only the central-metal ions but also the ligands, and the Jahn-Teller coupling of the orbital manifolds of Fe~(2+) ions with overtones of E and T_(2) symmetry phonons of ligands. The results are in good agreement with the experimental observations. Some theoretical Jahn-Teller splittings presented are in need of further theoretical and experimental studies. A significant charge transfer in ZnS:Fe~(2+) is found.