K-EMISSION SPECTRA OF ZN, ZNS, AND ZNSE WITHIN DIPOLE AND QUADRUPOLE APPROXIMATIONS

The present work deals with the x-ray K beta(2,5)-emission bands and t he electronic structures of Zn metal as well as ZnS and ZnSe compounds . The above-mentioned compounds were chosen the subject of the investi gation because they are ideal materials to study the 3d-4p hybridizati on since the Zn d band is about 10 eV below the Fermi level and theref ore the K beta(2) and K beta(5) spectra are quite well separated from each other. The K beta(5) spectra of ZnS and ZnSe compounds are found to be largely caused by the quadrupole radiation. The electronic struc tures of the investigated materials are obtained by using the linear m uffin-tin orbital method. The calculations show that for cubic crystal s the quadrupole spectra can have a strong polarization dependence alt hough the dipole spectra are independent of polarization. The theoreti cal spectra of the investigated materials are treated in the framework of the full band-structure representation. [S0163-1829(98)06927-6].