Abstract
The local structures and electron paramagnetic resonance (EPR) parameters as well as their composition (x) dependences for Cu2+ in xMgO·(30−x)·Na2O·69B2O3(5≤x≤17mol%) glasses are theoretically studied by analyzing these parameters for tetragonally elongated 3d9 complexes. The nonlinear variations of the EPR spectra with modifier MgO composition x can be ascribed to the approximately parabolic relationships between cubic field parameter Dq, orbital reduction factor k, local relative tetragonal elongation ratio ρ, core polarization constant κ and reduction factor H with x. The [CuO6]10− complexes may experience the slight relative elongations of about 0.4% due to the Jahn–Teller effect. The theoretical d–d transition bands and EPR parameters for the various composition x are in good agreement with the observed results. The above composition dependences of the relevant quantities are illustrated as the modifications of the local crystal-fields and electronic states in the vicinity of the Cu2+ dopants with x.
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