Self-consistent tight-binding super-cell calculations were made of the electronic and relaxation properties of various defects in these materials. The Te interstitials were found to exhibit the largest lattice relaxations, among the various interstitials, when in the preferred tetrahedral position. It was suggested that this helped to explain the tendency of excess Te to condense into second-phase inclusions. It was also suggested that a strain-mediated interaction between Te interstitials and cation vacancies promoted the creation of Te anti-sites in Te-rich CdHgTe.

J.T.Schick, C.G.Morgan-Pond: Journal of Vacuum Science and Technology A, 1990, 8[2], 1108-11