DX AND A CENTERS IN II-VI COMPOUNDS

The electronic structure of II-VI crystals doped with nontransition el ements of columns I, III, V, and VII was studied in the cluster approx imation on the basis of a physically adequate method accounting for bo undary conditions. All calculations were performed with the self-consi stent method of scattered waves. It is shown that the change of crysta l electronic structure caused by doping is the principal reason for de termining the possibility of reconstruction of the impurity center. Sp ecial attention is given to studies of DX and A centers. Tendencies to ward the formation of reconstructed centers are observed over a series of impurities and host-crystals with different charge states of these centers. Mechanisms of self-compensation in such crystals are discuss ed.