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1996 | 90 | 5 | 1075-1079
Article title

Determination of Vibrational Eigenfrequencies of Semiconductors Using Tight-Binding Total Energy Calculations

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EN
Abstracts
EN
We calculate the eigenfrequencies of bulk semiconductors using tight-binding total energy calculations of an ideal and a distorted lattice. We correlate the obtained energy change with the harmonic force constants appearing as parameters in the expansion of the potential energy of the crystal lattice in terms of the displacement. A good agreement of the calculated q = 0 optical vibrational modes with the experimental values for Si, Ge, GaAs and GaP bulk crystals is obtained. The influence of a surface on the force constants and the vibrational frequencies is studied.
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EN
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author
  • Institut für Physik, Humboldt-Universität zu Berlin, Invalidenstr. 110, 10115 Berlin, Germany
author
  • Institut für Physik, Humboldt-Universität zu Berlin, Invalidenstr. 110, 10115 Berlin, Germany
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bwmeta1.element.bwnjournal-article-appv90z550kz
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