The dielectric matrix of a semiconductor is computed in the pseudopotential scheme. The result is applied to the calculation of the phonon frequencies in the direction [100] 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.
Dielectric matrix and phonon frequencies in Silicon / Bertoni, Carlo Maria; C., Bortolani; C., Calandra; E., Tosatti. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 28:(1972), pp. 1578-1581.
Dielectric matrix and phonon frequencies in Silicon
BERTONI, Carlo Maria;
1972
Abstract
The dielectric matrix of a semiconductor is computed in the pseudopotential scheme. The result is applied to the calculation of the phonon frequencies in the direction [100] 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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