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Calculation of the binding energies of doubly ionizable centres in II–VI compounds
Author(s) -
Hagston W. E.,
Sutherland H. H.
Publication year - 1979
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.2220920131
Subject(s) - parametrization (atmospheric modeling) , polaron , binding energy , ionization , ionization energy , computational chemistry , scheme (mathematics) , chemistry , atomic physics , physics , mathematics , quantum mechanics , ion , mathematical analysis , electron , radiative transfer
The ionization energies of a doubly ionizable centre are calculated on the basis of two different models. One of these is the effective mass approximation (i.e. shallow centre approximation) suitably extended so as to simulate central cell corrections, whilst the other, based on the concept of an electronic polaron, is more appropriate to the deeper centre regime. The results obtained provide a parametrization scheme which can be checked by experiment and thus lead to a possible means of identifying such centres.