Theoretical treatment of the dielectric response of all-trans-polyacetylene
- 15 January 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 27 (2) , 1447-1449
- https://doi.org/10.1103/physrevb.27.1447
Abstract
First-principles electronic-band-structure results for polyacetylene are used to calculate the dielectric function of this material as a function of frequency and wave vector . We find that our theoretical results when compared with the recent experimental results reported by Ritsko describe well many of the dominant features of the electron energy-loss spectra within a self-consistent interband transition linear response model for noninteracting parallel chains. A discussion is provided of other physical effects outside this simple model which may have a measurable effect on the optical and energy-loss spectra of polyacetylene.
Keywords
This publication has 9 references indexed in Scilit:
- Pressure dependence of the photoabsorption of polyacetylenePhysical Review B, 1982
- Momentum-dependent dielectric function of polyacetylenePhysical Review B, 1982
- Adequacy of Local‐Exchange Excitation Hamiltonias in InsulatorsPhysica Status Solidi (b), 1981
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981
- Soliton excitations in polyacetylenePhysical Review B, 1980
- Momentum Dependence of Electronic Excitations in PolyacetylenePhysical Review Letters, 1980
- Electronic structure of polyacetylene: Optical and infrared studies of undoped semiconducting and heavily doped metallicPhysical Review B, 1979
- Quantum Theory of the Dielectric Constant in Real SolidsPhysical Review B, 1962
- Self-Consistent Field Approach to the Many-Electron ProblemPhysical Review B, 1959