Comparison of Dielectric Screening Methods Used in Phonon-Frequency Calculation of Normal Metals
- 15 September 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 185 (3) , 913-923
- https://doi.org/10.1103/PhysRev.185.913
Abstract
The various prevalent forms of the dielectric screening function relevant to a calculation of phonon frequencies of a normal metal are critically studied. Detailed calculations for sodium are carried out to investigate the variation of phonon frequencies with several dielectric screening functions. Each of these dielectric functions is used in conjunction with two forms of the electron-ion matrix element: (a) the single-OPW (orthogonalized-plane-wave) electron-ion matrix element of Vosko et al. and (b) Bardeen's electron-ion matrix element. When we use the single-OPW electron-ion matrix element, a systematic trend is manifest in the variation of functions and phonon frequencies with the use of different dielectric functions, while no such trends are revealed if we adopt Bardeen's form of the electron-ion matrix element. It is observed that the dielectric function of Singwi et al. combined with the single-OPW electron-ion matrix element yields the best agreement with experimental phonon frequencies.
Keywords
This publication has 15 references indexed in Scilit:
- Ladder Corrections to the Static Random-Phase-Approximation Dielectric Constant and to Positron Annihilation in MetalsPhysical Review B, 1966
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Renormalization Constant of Electron Gas in the High Density LimitJournal of the Physics Society Japan, 1965
- The exchange overlap potential between sodium ions in the metallic statePhysics Letters, 1964
- Lattice dynamics of sodiumProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963
- Screening Correction to the Slater Exchange PotentialPhysical Review Letters, 1962
- A Simplification of the Hartree-Fock MethodPhysical Review B, 1951
- Theory of the vibrations of the sodium chloride latticePhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1940
- Conductivity of Monovalent MetalsPhysical Review B, 1937
- Die Berechnung optischer und elektrostatischer GitterpotentialeAnnalen der Physik, 1921