Dielectric Matrix and Phonon Frequencies in Silicon

Abstract
The dielectric matrix ε(q+G, q+G) of a semiconductor is computed in the pseudopotential scheme. The result is applied to the calculation of the phonon frequencies in the [100] direction of Si. The presence of off-diagonal dielectric terms introduces long-range forces and leads to real TA frequencies, thus avoiding the necessity of introducing explicitly a bond-charge model.

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