Screening of Impurity Pseudopotentials in Polar Semiconductors
Affiliation:
1. Institut für Theoretische Physik der Universität Tübingen
Abstract
It is shown how the total pseudopotential of an impurity (and not its Coulomb potential only) is screened by the electronic and ionic polarization of the host crystal caused by the impurity itself. An atomic description of the host crystal and the static polarization is given by means of the dipolar model developed by Stumpf. The F-centre in alkali halides is treated as an example to test the method. For actual calculations, the BSG pseudopotential is used. Numerical results of the absorption and optical ionization energies are presented.
Publisher
Walter de Gruyter GmbH
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics