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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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Content
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Languages of publication
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.
Keywords
EN
Year
Volume
90
Issue
5
Pages
1075-1079
Physical description
Dates
published
1996-11
References
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv90z550kz
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