Abstract
The optical absorption spectra and their pressure coefficients for ZnSe : Ni 2+ crystal have been calculated by diagonalizing the energy matrices based on a modified crystal-field theory. In the matrices, the covalency parameters N t, N e and the spin–orbit coupling coefficients ζ tt, ζ te are obtained from a cluster approach including only one adjustable parameter. The calculated optical spectra are in agreement with the observed values. The calculated pressure coefficients for T 2– 3T 2( 3F) and T 2– 1T 2( 1G) bands under low and high pressures are also consistent with the observed values. The differences of pressure coefficients under low and high pressures for T 2– 3A 2( 3F) and T 2– 3T 1( 3P) bands are analyzed and discussed.
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