POINT-DEFECTS WITH LATTICE DISTORTION IN CDTE AND HGCDTE

Results of self-consistent, tight-binding supercell calculations of electronic defect levels and relaxation about defects for As, Sb, and Te interstitials in CdTe and for the Hg vacancy in HgTe are presented. Trends in the localized defect levels and the relaxation of the lattice seen for these defects and for Cd, Hg, and In interstitials, from previous calculations, are discussed. Te interstitials are found to have the largest lattice relaxation of these interstitials in their preferred tetrahedral positions. This may help explain the tendency for excess Te to condense into second-phase inclusions. It is also suggested that a strain-mediated interaction between Te interstitials and cation vacancies may promote the creation of Te antisites in Te-rich HgCdTe. © 1990, American Vacuum Society. All rights reserved.