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Ab initio calculation of the structure and dynamics of III–V semiconductor surfaces

Chapter
Part of the Advances in Solid State Physics book series (ASSP, volume 36)

Abstract

Density-functional theory based on the plane-wave pseudopotential method together with the slab-supercell description has been applied to determine in a consistent formalism the atomic geometry and the phonon dynamics of III–V (110) semiconductor surfaces. The calculated phonon-dispersion curves of GaAs(110) and InP(110) agree very well with all available experimental data from high-resolution electron-energy-loss spectroscopy and inelastic He-atom scattering. We present a systematic analysis of the characteristics vibrations in III–V(110) semiconductor surfaces by comparing the surface phonons determined for GaAs and InP with the results obtained for GaP, GaSb, and other III–V compounds. Variations of the phonon spectrum related to changes in the surface structure are discussed for hydrogen covered GaAs(110).

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Copyright information

© Friedr. Vieweg & Sohn Verlagsgesellschaft mbH 1997

Authors and Affiliations

  1. 1.Institut für Theoretische PhysikUniversität RegensburgRegensburgGermany

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