Electron interaction and soliton energy in conjugated polymer

• Published in: Synthetic metals Vol. 85; no. 1; pp. 1035 - 1036
• Main Authors: Sun, X., Ma, Y.S., Li, L., Fu, R.T., Kawazoe, Y.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Lausanne Elsevier B.V 15-03-1997; Amsterdam Elsevier Science; New York, NY
• Subjects: Applied sciences; Electrical, magnetic and optical properties; Exact sciences and technology; Many-body and quasiparticle theories; Organic polymers; Physicochemistry of polymers; Polyacetylene and derivatives; Properties and characterization; Semi-empirical models and model calculations; Semi-empirical models and model calculations; Polyacetylene and derivatives; Many-body and quasiparticle theories; Acetylene polymer; Conjugated polymer; Many body theory; Electron electron interaction; Theoretical study; Soliton; Semiempirical method; Coulomb interaction; Modeling
• ISSN: 0379-6779; 1879-3290
• DOI: 10.1016/S0379-6779(97)80142-7

The effect of e-e interaction on the creation energy of soliton in polymer has been extensively studied by using the Hubbard model. However, the polymer possesses wide bandwidth, which is even larger than the on-site repulsion U, then it can't be guaranteed that the Hubbard model is always suitable, since this model originates from the systems with narrow band. Actually the Hubbard model only contains the diagonal part of e-e interaction, for wide band system, the off-diagonal part of e-e interaction may have substantial impact. This paper goes beyond the Hubbard model by using a screened Coulomb interaction, which includes both diagonal and off-diagonal parts. Our calculation shows that the effect of e-e interaction on the creation energy of soliton is distinctly different from the result based on the Hubbard model, the physical reason cause this difference is analysed.