title: The electronic structure of liquid silver chalcogenides: a tight-binding approach.
abstract: We present a computational study of the electronic structure of the stoichiometric liquid zero-gap semiconductors [Formula: see text], [Formula: see text] and [Formula: see text]. The geometry of the fluids is described by the primitive model of charged hard spheres; the electronic structure is modelled using a tight-binding Hamiltonian. The density of states is computed considering the Madelung potential fluctuations and the topological disorder characteristic of an ionic fluid. Only the introduction of nonzero tight-binding hopping matrix elements - equivalent to the formation of chemical bonds - induces a pseudogap between the chalcogenide conduction band and the silver valence band. The Fermi level can be located in a region of a small density of states; eigenstates at [Formula: see text] are likely to exhibit disorder-induced localization.
authors.affiliation: Institut für Physikalische Chemie und Elektrochemie I, Universität Karlsruhe, Kaiserstraße 12, D-76128 Karlsruhe, Germany.
authors.forename: T
authors.initials: T
authors.lastname: Koslowski