Electron-Lattice Relaxation, and Soliton Structures and Their Interactions in Polyenes

1999/01/18 by Robert J. Bursill, William Barford
Engineering · Physics and Astronomy · #Perovskite Materials and Applications #Physics of Superconductivity and Magnetism #Strong Light-Matter Interactions #cond-mat

paper · pdf · doi:10.1103/physrevlett.82.1514

published as Physical Review Letters 82, pp. 1514-17 (1999) · RevTeX, 5 pages, 4 eps figures included using epsf. To appear in Physical Review Letters. Fig. 1 fixed up

arxiv created 1999/01/18 · openalex publication_date 1999/02/15 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

Density matrix renormalization group calculations of a suitably parametrized model of long polyenes (polyacetylene oligomers), which incorporate both long range Coulomb interactions and adiabatic lattice relaxation, are presented. The 1³B_u⁺ and 2¹A_g⁺ states are found to have a 2-soliton and a 4-soliton form, respectively, both with large relaxation energies. The 1¹B_u^\ensuremath- state forms an exciton polaron and has a very small relaxation energy. The relaxed energy of the 2¹A_g⁺ state lies below that of the 1¹B_u^\ensuremath- state. The soliton/antisoliton pairs are bound.

Citations

• Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains