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This article is cited in 1 scientific paper (total in 1 paper)
Mathematical Modeling
Polarons on dimerized lattice of polyacetilene. Continuum approximation
T. Yu. Astakhova, G. A. Vinogradov Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow
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 $\pi$-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 $\sim$ 6000 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.
Received 09.04.2021, 11.09.2021, Published 06.10.2021
Citation:
T. Yu. Astakhova, G. A. Vinogradov, “Polarons on dimerized lattice of polyacetilene. Continuum approximation”, Mat. Biolog. Bioinform., 16:2 (2021), 335–348
Linking options:
https://www.mathnet.ru/eng/mbb470 https://www.mathnet.ru/eng/mbb/v16/i2/p335
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