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Theoretical approaches to the electronic structure of disordered solids
Authors:H Dü  cker  O Hein  S Knief  W von Niessen and Th Koslowski
Institution:

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.
Keywords:Electronic structure calculation  Amorphous solids  Band structure fitting  Amorphous silicon  Disordered tungsten bronzes
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