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Electronic Structure of F‐Centers in Alkaline Earth Fluorides
Author(s) -
den Hartog H. W.,
Arends J.
Publication year - 1967
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.19670230234
Subject(s) - isotropy , alkaline earth metal , ion , vacancy defect , shell (structure) , wave function , atomic physics , order (exchange) , chemistry , physics , materials science , condensed matter physics , quantum mechanics , alkali metal , finance , economics , composite material
Abstract The isotropic hfs constants of F‐centers in alkaline‐earth fluorides and the g ‐shift in CaF 2 are calculated using various published wave functions. The computed results of these calculations are then compared with experiment in order to assess the validity of the wave functions. The wave functions studied give the correct order of magnitude for the isotropic hfs constants of the first shell of F − ‐ions surrounding the vacancy. For the second shell of F − ‐ions a few wave functions give values in agreement with experiment.