Solitons in Polyacetylene: A Monte Carlo Study
- 7 May 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 52 (19), 1713-1716
- https://doi.org/10.1103/physrevlett.52.1713
Abstract
We present results of Monte Carlo simulations of odd-site polyacetylene chains, described by the Su-Schrieffer-Heeger Hamiltonian with on-site and nearest-neighbor Coulomb interaction terms. Starting with initial uniform or dimerized configurations, a soliton always forms in the system, even in the presence of Coulomb interactions. We study in particular the spin polarization, and by comparison with ENDOR and other experiments we discuss possible microscopic parameters characterizing polyacetylene.Keywords
This publication has 17 references indexed in Scilit:
- Spin Densities and Correlations in Regular Polyene RadicalsPhysical Review Letters, 1983
- Vibronic States of Polyacetylene, (CH)xJournal of the Physics Society Japan, 1983
- Theory of Electronic Structures and Lattice Distortions in Polyacetylene and Itinerant Peierls Systems. III: Coulomb Effects on Solitons and Effective Coulomb Potential in Trans-PolyacetyleneProgress of Theoretical Physics, 1983
- Phase diagram of one-dimensional electron-phonon systems. I. The Su-Schrieffer-Heeger modelPhysical Review B, 1983
- Monte Carlo simulations of one-dimensional fermion systemsPhysical Review B, 1982
- Hubbard versus Peierls and the Su-Schrieffer-Heeger model of polyacetylenePhysical Review B, 1982
- Efficient Monte Carlo Procedure for Systems with FermionsPhysical Review Letters, 1981
- Bond alternation, on-site Coulomb correlations, and solitons in polyacetylenePhysical Review B, 1981
- Soliton excitations in polyacetylenePhysical Review B, 1980
- Solitons in PolyacetylenePhysical Review Letters, 1979