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Electronic structure of the Cd vacancy in CdTe
Author(s) -
Meijer P. H. E.,
Pecheur P.,
Toussaint G.
Publication year - 1987
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.2221400117
Subject(s) - vacancy defect , cadmium telluride photovoltaics , atom (system on chip) , electronic structure , tight binding , electronic band structure , chemistry , wave function , condensed matter physics , relaxation (psychology) , atomic physics , molecular physics , physics , materials science , nanotechnology , computer science , embedded system , psychology , social psychology
By means of a tight binding parametrization of the band structure of cadmium telluride, in conjunction with the Green's function method the density of states of the perfect crystal is determined. Various parametrizations for this compound are compared. Next, the energy levels for the Cd vacancy are calculated taking into account the change in the wave functions around the missing atom as well as the various possibilities for the charged state at this site. Spin–orbit coupling is not taken into account, nor the possible neighbor relaxation around the vacancy.