The macroscopic polarizability of silicon is calculated from first principles as a function of the lattice distortion induced by a zone-center optical phonon. The electronic response to the electric field is dealt with by dielectric matrices, and the lattice distortion is treated by frozen-phonon techniques. Our results compare quite well with the most recent measurements of the one-phonon Raman cross section.
Ab initio calculation of the low-frequency Raman cross section in silicon / Baroni, S.; Resta, R.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - 33:8(1986), pp. 5969-5971. [10.1103/PhysRevB.33.5969]
Ab initio calculation of the low-frequency Raman cross section in silicon
Baroni, S.;Resta, R.
1986-01-01
Abstract
The macroscopic polarizability of silicon is calculated from first principles as a function of the lattice distortion induced by a zone-center optical phonon. The electronic response to the electric field is dealt with by dielectric matrices, and the lattice distortion is treated by frozen-phonon techniques. Our results compare quite well with the most recent measurements of the one-phonon Raman cross section.File in questo prodotto:
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