Abstract
In the dielectric screening approach, the phonon dispersion curves of a crystal are derived from the electron density response matrix. Electron energies and wavefunctions are obtained from a crystal pseudopotential consistent with the electron-ion potential. The summand of the polarizability is expanded in a continued fraction. As a first approximation only the first term is calculated and the second is treated as a constant. In order to study the importance of the exchange contribution in the dielectric response, the electron potential in the dielectric matrix is screened with a Hubbard exchange factor. The exchange improves the convergence of reciprocal lattice summations. With exchange the optical modes decrease as a function of the wavevector.
Work supported by a CDC research grant and by the project E.S.I.S.
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© 1981 Plenum Press, New York
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Van Camp, P.E., Van Doren, V.E., Devreese, J.T. (1981). Dielectric Screening and Phonon Frequencies of Silicon. In: Devreese, J.T., Lemmens, L.F., Van Doren, V.E., Van Royen, J. (eds) Recent Developments in Condensed Matter Physics. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1086-0_16
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DOI: https://doi.org/10.1007/978-1-4684-1086-0_16
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