Consistent microscopic calculation of phonons in Si
- 15 March 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (6) , 4270-4272
- https://doi.org/10.1103/physrevb.25.4270
Abstract
In this paper results are given for a microscopic calculation of phonon frequencies of Si which takes the same exchange-correlation effects into account in the Hamiltonian as in the dielectric matrix. Furthermore, the lattice constant is calculated from minimalization of the total ground-state energy of the electronic system and has been used to evaluate the phonon frequencies.Keywords
This publication has 7 references indexed in Scilit:
- FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDSLe Journal de Physique Colloques, 1981
- Dielectric screening theory in the local-density-functional formalism. Application to silicon using Slater exchangePhysical Review B, 1981
- Microscopic Screening and Phonon Dispersion of Silicon: Moment Expansion for the PolarizabilityPhysical Review Letters, 1979
- Dielectric theory of elementary excitations in crystalsAdvances in Physics, 1978
- Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structuresPhysical Review B, 1975
- Sum Rule for Lattice Vibrations; Application to Forces in Diamond StructuresPhysical Review B, 1963
- Sum Rule for Lattice Vibrations in Ionic CrystalsPhysical Review B, 1959