Theoretical Explanations of the Optical Band Positions and Local Structure for Cu²⁺Centers in ZnO-Bi₂O₃-B₂O₃-CuO Glasses

Abstract

The local structure, two optical band positions and three electronic spin resonance parameters for Cu 2+ centers at the tetragonally-distorted octahedral sites in ZnO-Bi2O3-B2O3-CuO glasses are calculated from the high-order perturbation method based on the two-spin-orbit-parameter model, where the contributions from both the spinorbit coupling parameters of central d n ion and ligand ion are included. The theoretical results are in good agreement with the experimental values. The calculations show that the high-order perturbation method based on the two-spin-orbit-parameter model is eective in the explanations of optical spectra, electronic spin resonance parameters and local distortion structure for d 9 ions in glasses.