Covalency and Electronic Structure of Cu2+ in ZnF2 by EPR

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Abstract
With the aid of computer techniques, including a laboratory automation system, accurate computer simulation, and an accurate calculation method, the EPR spectrum of copperdoped in zinc fluoride has been analyzed. The observed g values led by a new method to a determination of the coefficients of the Kramer's doublet. Copperhyperfine structure verified these values and fluorine transferred hyperfine structure gave a measure of covalency. The fractional orbital occupation showed predominantly σ bonding which is similar to other reported transition metal ions in ionic insulating crystals. Orbital reduction, though no doubt present, makes only an insignificant and undetectable contribution.

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