| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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The effect of interface hopping on inelastic scattering of oppositely charged polarons in polymers |
| Di Bing (邸冰)a, Wang Ya-Dong (王亚东)a b, Zhang Ya-Lin (张亚琳)a, An Zhong (安忠)a |
a College of Physics and Hebei Advanced Thin Films Laboratory, Hebei Normal University, Shijiazhuang 050024, China;
b Zhangjiakou Vocational and Technical College, Zhangjiakou 075051, China |
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Abstract The inelastic scattering of oppositely charge polarons in polymer heterojunctions is believed to be fundamental importance for the light-emitting and transport properties of conjugated polymers. Based on the tight-binding SSH model, and by using a nonadiabatic molecular dynamic method, we investigate the effects of interface hopping on inelastic scattering of oppositely charged polarons in a polymer heterojunction. It is found that the scattering processes of the charge and lattice defect depend sensitively on the hopping integrals at the polymer/polymer interface when the interface potential barrier and applied electric field strength are constant. In particular, at an intermediate electric field, when the interface hopping integral of the polymer/polymer heterojunction material is increased beyond a critical value, two polarons can combine to become a lattice deformation in one of the two polymer chains, with the electron and the hole bound together, i.e., a self-trapped polaron-exciton. The yield of excitons then increases to a peak value. These results show that interface hopping is of fundamental importance and facilitates the formation of polaron-excitons.
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Received: 31 October 2012
Revised: 28 November 2012
Accepted manuscript online:
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PACS:
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71.38.-k
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(Polarons and electron-phonon interactions)
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72.20.Jv
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(Charge carriers: generation, recombination, lifetime, and trapping)
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71.35.Aa
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(Frenkel excitons and self-trapped excitons)
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72.80.Le
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(Polymers; organic compounds (including organic semiconductors))
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11074064), the Key Project of the Ministry of Education of China (Grant No. 210021), and the Natural Science Fund of Hebei Province of China (Grant No. A2010000357). |
Corresponding Authors:
An Zhong
E-mail: zan@hebtu.edu.cn
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Cite this article:
Di Bing (邸冰), Wang Ya-Dong (王亚东), Zhang Ya-Lin (张亚琳), An Zhong (安忠) The effect of interface hopping on inelastic scattering of oppositely charged polarons in polymers 2013 Chin. Phys. B 22 067103
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