a Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D-38106 Braunschweig, Germany
b Institut für Physikalische Chemie und Elektrochemie, Universität Karlsruhe, D-76128 Karlsruhe, Germany
Abstract:
A short review is presented on a theoretical numerical approach to the calculation of the electronic structure of disordered and amorphous solids. A chemically specific approach is thereby advocated. A new procedure to fit in a tight-binding method the band structure of complex solids is introduced. The electronic structure of different defect models of a-Si and a-Si:H is described. Then the interplay of disorder and electron–electron interactions in the disordered cubic tungsten bronzes, NaxWO3, is addressed which leads to a pseudogap at the Fermi level. This work results in an understanding of the metal–insulator transition for finite doping degree.