The electronic structure of liquid silver chalcogenides: a tight-binding approach |
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Authors: | Koslowski T |
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Institution: | Institut für Physikalische Chemie und Elektrochemie I, Universit?t Karlsruhe, Kaiserstra?e 12, D-76128 Karlsruhe, Germany. |
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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. |
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