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The local structure, two optical band positions and three electronic spin resonance parameters for Cu2+ 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(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 effective in the explanations of optical spectra, electronic spin resonance parameters and local distortion structure for d(9) ions in glasses.

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