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 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 spin orbit coupling parameters of central d 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 e ective in the explanations of optical spectra, electronic spin resonance parameters and local distortion structure for d ions in glasses.