Abstract

EPR and ENDOR investigations, which were performed on Cu 2+ -doped single crystals grown by the Bridgman technique, revealed the presence of a second center (II) with a d x 2 -y 2 ground state. Center II was identified as Cu 2+ on an interstitial site with a quare-planar F − coordination, which is otherwise only known for Cu 2+ in CaCuF 4 . The temperature-dependent g as well as copper and fluoride hyperfine parameters of center I are interpreted in terms of a slight admixture of d x 2 -y 2 caused by vibronic coupling, which increases with temperature. The ground-state potential surface, the vibronic wave functions, and the corresponding energy levels have been numerically calculated

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