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A Cluster‐Bethe Lattice Treatment for the F‐Center in Alkali Halides
Author(s) -
de Queiroz S. L. A.,
Koiller B.,
Maffeo B.,
Brandi H. S.
Publication year - 1978
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.2220870141
Subject(s) - halide , alkali metal , cluster (spacecraft) , lattice (music) , vacancy defect , chemistry , f center , center (category theory) , inorganic chemistry , crystallography , atomic physics , materials science , physics , organic chemistry , nuclear physics , electron , computer science , acoustics , programming language
The electronic structure of the F‐center in alkali halides with the NaCl structure is studied using the cluster‐Bethe lattice method. The central cluster is taken as constituted by the vacancy and the nearest and second neighbours to it, respectively cations and anions. The optical transitions are calculated and compared to experimental data on the location of the peak of the F‐absorption band. The agreement obtained indicates that this method may be used to study properties of this defect in alkali halides.