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Free keywords:
semiconductors; electron-phonon interaction; temperature dependence of band gaps; EXAFS Debye-Waller factors
Abstract:
Using a perturbative treatment of the electron-phonon
interaction, we have studied the effect of phonons on the
direct band gap of conventional semiconductors. Our
calculations are performed in the framework of the tight-
binding linear combination of atomic orbitals (LCAO) approach.
Within this scheme we have calculated the temperature and
isotopic mass dependence of the lowest direct band gap of
several semiconductors with diamond and zincblende structure.
Our results reproduce the overall trend of available
experimental data for the band gap as a function of
temperature, as well as give correctly the mass dependence of
the band gap on isotopic. A calculation of conduction band
intervalley deformation potentials is also reported. Finally,
calculated Debye-Waller factors are compared with X-ray and
EXAFS experimental results. (C) 2002 Elsevier Science Ltd. All
rights reserved.
