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On the effect of overlapping and covalency on the optical spectra of impurity ions in dielectric crystals
Author(s) -
Cherepanov V. I.,
Krotkii A. I.,
Shchetkov A. A.
Publication year - 1972
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220490104
Subject(s) - impurity , octahedron , ion , linear combination of atomic orbitals , dielectric , spectral line , materials science , atomic physics , condensed matter physics , chemistry , atomic orbital , physics , quantum mechanics , electron , optoelectronics
The influence of overlapping and covalency on the interelectronic correlation parameters of impurity ions with 3d N ( N = 2, 3, 7, 8) configuration in octahedral complexes is considered using the MO‐LCAO approximation. It was shown that in addition to a decrease of the usual Slater parameters F 0 , F 2 , F 4 , these effects lead to the appearance of additional parameters. The meaning of these parameters is discussed. Numerical calculations are made for the complexes V 3+ O 6 2– , Cr 3+ F 6 − , Ni 2+ F 6 − , Co 2+ F 6 − .