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Volume 16   Issue 2   Year 2021
Polarons on Dimerized Lattice of Polyacetilene. Continuum Approximation

Astakhova T.Yu., Vinogradov G.A.

Emanuel Institute of Biochemical Physics, Russ. Acad. Sci.,  Moscow, Russia 

Abstract. A one-electron model is proposed to describe a polaron on a dimerized polyacetylene lattice. Within the framework of the formulated model, the dynamics of a freely moving polaron is considered. The results obtained are compared with the many-electron model that takes into account all π-electrons of the valence band. Polaron can move at subsonic and supersonic speeds. The subsonic polaron is stable. A supersonic polaron loses stability at times ∼ 6 000 fs. A supersonic polaron has a forbidden speed range. An analytical solution to the continual approximation helps to understand the reason for the existence of forbidden speeds. The dynamics of a free polaron is similar to the dynamics of a polaron in an electric field. The proposed one-electron approximation significantly expands the possibilities of numerical simulation in comparison with the traditional many-electron model. 

Key words: polaron, polyacetilene, continuum approximation, dimerized lattice.

Table of Contents Original Article
Math. Biol. Bioinf.
2021;16(2):335-348
doi: 10.17537/2021.16.335
published in English

Abstract (eng.)
Abstract (rus.)
Full text (eng., pdf)
References

 

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