The Influence of the Dipol Transition Matrix Element on the XANES and Optical Spectra for CdTe

The bands and density of states have been obtained using the self-consistent, semirelativistic LMTO method [1, 2]. The LSDA potential was used in the form proposed by Vosko, Wilk and Nusair [3]. The openness of the zinc-blende structure was dealt in standard way by placing additional "empty spheres" into the unit cell. The calculations were carried out using the experimental lattice constant. The results of such band stucture calculation formed a basis for X-ray absorption and optical spectra calculation. In the one-electron approximation the X-ray absorption coefficient from a core level with energy Ec to final unoccupied conduction states with energy Ekf is given by the eXpression