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
Applying the classical discrete reaction field (DRF) approach, which includes a treatment for the so...
The strain-shift coefficient used to convert Raman shifts to strain depends on multiple factors incl...
The dynamical matrix of a semiconductor is set up by evaluating the full dielectric matrix to the lo...
The macroscopic polarizability of silicon is calculated from first principles as a function of the l...
The absolute Raman cross section \(\sigma_{RS}\) of the first-order \(519 cm^{−1}\) optical phonon i...
In this work, the Raman shift of the single-phonon peaks in silicon is predicted from first principl...
Using the Keating model and the Raman polarizability of Alben et al., the phonon Raman spectra of si...
We study the lattice statics and dynamics of Si near the beta-tin->Imma->sh phase transitions. The p...
The ab initio prediction of Raman intensities for bulk solids usually relies on the hypothesis that ...
The dielectric matrix of a semiconductor is computed in the pseudopotential scheme. The result is ap...
The strong dependence of Raman intensities with respect to the laser frequency is investigated thank...
Strong computational capabilities are required for precise prediction of Raman spectra from low-dime...
Methods for theoretically evaluating lattice dynamics, anharmonic effects and related optical proper...
Measurements of the scattering cross section give the magnitude, but not the sign of the Raman tenso...
A first-principles study, using a linear-response approach based on the pseudopotential method and t...
Applying the classical discrete reaction field (DRF) approach, which includes a treatment for the so...
The strain-shift coefficient used to convert Raman shifts to strain depends on multiple factors incl...
The dynamical matrix of a semiconductor is set up by evaluating the full dielectric matrix to the lo...
The macroscopic polarizability of silicon is calculated from first principles as a function of the l...
The absolute Raman cross section \(\sigma_{RS}\) of the first-order \(519 cm^{−1}\) optical phonon i...
In this work, the Raman shift of the single-phonon peaks in silicon is predicted from first principl...
Using the Keating model and the Raman polarizability of Alben et al., the phonon Raman spectra of si...
We study the lattice statics and dynamics of Si near the beta-tin->Imma->sh phase transitions. The p...
The ab initio prediction of Raman intensities for bulk solids usually relies on the hypothesis that ...
The dielectric matrix of a semiconductor is computed in the pseudopotential scheme. The result is ap...
The strong dependence of Raman intensities with respect to the laser frequency is investigated thank...
Strong computational capabilities are required for precise prediction of Raman spectra from low-dime...
Methods for theoretically evaluating lattice dynamics, anharmonic effects and related optical proper...
Measurements of the scattering cross section give the magnitude, but not the sign of the Raman tenso...
A first-principles study, using a linear-response approach based on the pseudopotential method and t...
Applying the classical discrete reaction field (DRF) approach, which includes a treatment for the so...
The strain-shift coefficient used to convert Raman shifts to strain depends on multiple factors incl...
The dynamical matrix of a semiconductor is set up by evaluating the full dielectric matrix to the lo...