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

• Authors: J. Stephan , D. Suisky
• 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

63.20.-e

Discipline

• 63.20.-e: Phonons in crystal lattices(for phonons in superconductors, see 74.25.Kc; see also 43.35.Gk Phonons in crystal lattice, quantum acoustics—in Acoustics Appendix)

• Journal: Acta Physica Polonica A
• Year: 1996
• Volume: 90
• Issue: 5
• Pages: 1075-1079

Dates

published

1996-11

Contributors

author

J. Stephan

• Institut für Physik, Humboldt-Universität zu Berlin, Invalidenstr. 110, 10115 Berlin, Germany

author

D. Suisky

• Institut für Physik, Humboldt-Universität zu Berlin, Invalidenstr. 110, 10115 Berlin, Germany

Identifiers

DOI

10.12693/APhysPolA.90.1075