Binding energies of simple isoelectronic impurities in II-VI semiconductors

A theoretical estimate for the binding energy of simple isoelectronic acceptors in II-VI semiconductors has been made by means of a numerical variational approximation. The short-range potential associated with an impurity is studied with a method based on the analysis of the crystal ionization energy of the impurity and the host atom it replaces. The lattice relaxation of the host crystal and the electronic polarization of the impurity are also included in the estimates. The estimated results for the isoelectronic substitution in three zinc blendes and four rock salts are compared with some experimental data and found to be in good agreement. The binding mechanism of isoelectronic impurities in II-VI semiconductors is discussed in terms of the short-range impurity potential.