On the electron band structure of liquid metals |
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Authors: | E. Stoll N. Szabo Dr. T. Schneider |
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Affiliation: | (1) Delegation für Ausbildung und Hochschulforschung, Swiss Federal Institute for Reactor Research, 5303 Würenlingen, Switzerland;(2) Present address: IBM Zürich Research Laboratory, CH-8803 Rüschlikon, Switzerland;(3) Present address: University of Frankfurt, Frankfurt am Main, Germany |
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Abstract: | The electronic structure and the density of states of simple liquid metals is discussed on the basis of a nonlocal and energy-dependent pseudopotential of the Phillips-Kleinman type. As an example we treat lithium. To calculate this pseudopotential we need to know the states and the eigenvalues of the liquid metal ion cores. For these quantities we use: first, the core data of the free atom; second, of the free ion; third, the data we have determined from the measured phonon dispersion curves. The deviations between the band structures, the density of states as calculated with these pseudopotentials and those of free electrons are considerable. |
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