Analysis of the off-center effect of Cu+ in alkali halides using crystal-field theory

Stephen A. Payne
Phys. Rev. B 36, 6125 – Published 15 October 1987
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Abstract

We have found that the relative intensity of the A1g11Eg and A1g11T2g crystal-field components of the 3d10→3d94s transition of Cu+ in alkali halide hosts provides a measure of the Cu+ ground-state off-center displacement along the [111] axis. This is shown by deriving the crystal- field potential that describes the off-center effect of Cu+, and then calculating the transition moments to the Eg1 and T2g1 final states. By analyzing the spectra of Cu+ in numerous alkali halide hosts, it is found that the degree of off-center displacement increases with the lattice constant of the alkali halide.

  • Received 27 April 1987

DOI:https://doi.org/10.1103/PhysRevB.36.6125

©1987 American Physical Society

Authors & Affiliations

Stephen A. Payne

  • Lawrence Livermore National Laboratory, University of California, Livermore, California 94550

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Vol. 36, Iss. 11 — 15 October 1987

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