Self‐consistent calculation of intervalley deformation potentials in GaAs and Ge

We use the ab initio tight‐binding method with ad‐hoc site diagonal potentials to calculate electronic and structural properties of semiconductors. By distorting the lattice to simulate L or X phonons, intervalley deformation potentials, D, for electron and hole transfer in GaAs and Ge are obtained self‐consistently. In most cases, self‐consistency increases the value of D by only about 10%. The values obtained, however, are larger than those from fitted tight‐binding or empirical pseudopotential methods and in good agreement with recent experiments.

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