We present a theoretical study on the surface vibrations in Si(111): H 1×1. We have calculated their dispersion along the borders of the irreducible part of the surface Brillouin zone by diagonalizing the dynamical matrix for a slab composed by 22 atomic planes. It turns out that by fitting only the stretching and bending frequencies of the Si-H bond on the surface we reproduce quite well the dispersion of very recent He-scattering data for the Rayleigh Wave. In particular it displays a rather flat behavior along zone border, quite softened with respect to the bulk band. Finally we discuss recent Electron Energy Loss measurements in the framework of our model
Miglio, L., Ruggerone, P., Benedek, G., Colombo, L. (1988). Surface phonon calculation for SI(111)-H(1X1). PHYSICA SCRIPTA, 37(5), 768-772 [10.1088/0031-8949/37/5/018].
Surface phonon calculation for SI(111)-H(1X1)
MIGLIO, LEONIDA;BENEDEK, GIORGIO;
1988
Abstract
We present a theoretical study on the surface vibrations in Si(111): H 1×1. We have calculated their dispersion along the borders of the irreducible part of the surface Brillouin zone by diagonalizing the dynamical matrix for a slab composed by 22 atomic planes. It turns out that by fitting only the stretching and bending frequencies of the Si-H bond on the surface we reproduce quite well the dispersion of very recent He-scattering data for the Rayleigh Wave. In particular it displays a rather flat behavior along zone border, quite softened with respect to the bulk band. Finally we discuss recent Electron Energy Loss measurements in the framework of our model
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