Local distortion and spin-Hamiltonian parameters for Eu2+sites in the alkali halides

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Abstract
A detailed model is developed for calculating the local distortion near Eu2+ impurity sites in the alkali halides. The ionic positions obtained using this model are then used to carry out a superposition model analysis of the spin-Hamiltonian parameters. The results are consistent with results obtained for Eu2+ and Gd3+ in other systems and provide a significant extension of the understanding of the properties of S-state ion spin-Hamiltonian parameters. Although the predictions of the local distortion model do not provide detailed agreement with the experimental spin-Hamiltonian parameters, it is shown that very small corrections in the ionic positions produce excellent agreement, thus demonstrating the viability of the approach.

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