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  

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1996
• Volume: 90
• Issue: 5
• Pages: 1075-1079

Dates

published

1996-11

Identifiers

DOI

10.12693/APhysPolA.90.1075