Ab initio calculation of the (100) and (110) surface phonon dispersion of GaAs and GaN
AUTOR(ES)
Alves, H. W. Leite, Alves, J. L. A., Santos, A. M., Scolfaro, L. M. R., Leite, J. R.
FONTE
Brazilian Journal of Physics
DATA DE PUBLICAÇÃO
2004-06
RESUMO
In this work, we have calculated ab initio the phonon dynamics of the Ga-rich GaAs (100) (1 × 1), GaAs (100) (2 × 1), GaN (100) (1 × 1), GaAs (110) and GaN (110) surfaces. Our results for the (100) surfaces show that, while the (2 × 1) reconstruction is characterized by dimer vibrations, the (1 × 1) reconstruction presents interesting features which is closely related to the reduced mass of the compound. All the studied cases show the presence of a Rayleigh mode. The calculated properties for the (110) surfaces agree very well with the available experimental data from HEELS and inelastic He-atom scattering as well as with other theoretical calculations.
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