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.
Keywords
Affiliated Institutions
Related Publications
<i>Ab initio</i>calculation of phonon dispersions in semiconductors
The density-functional linear-response approach to lattice-dynamical calculations in semiconductors is presented in full detail. As an application, we calculate complete phonon ...
Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment
An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results f...
<i>Ab initio</i> Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
The phonon dispersion relations of diamond and graphite are calculated using an ab initio force constant method. The force constants are calculated via a self-consistent superce...
Energy of Lattice Distortion in Cold Worked Permalloy
The lattice distortion produced by severe cold working of permalloy of 70 percent Ni content has been studied by measuring the broadenin of the reflection of the Fe $K\ensuremat...
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
Starting from the knowledge of first-order changes of wave functions and density with respect to small atomic displacements or infinitesimal homogeneous electric fields within t...
Publication Info
- Year
- 1986
- Type
- article
- Volume
- 33
- Issue
- 8
- Pages
- 5969-5971
- Citations
- 69
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1103/physrevb.33.5969