Pseudopotential and tight-binding calculations of the bulk and surface electronic structure of solids

The electronic structure of semiconductors, alloys, transition metal compounds, and the electronic states associated with surfaces are studied using the empirical pseudopotential and the tight-binding methods. Experimental data are extensively used to obtain information on the pseudopotential and tight-binding parameters, and to check the accuracy of the theoretical calculations. Reflectivity spectra, frequency dependent dielectric constants, densities of states and charge density distributions are calculated for a number of compounds and compared to corresponding experimental information when available.