Carrier hopping in disordered semiconducting polymers: How accurate is the Miller-Abrahams model?

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We performed direct calculations of carrier hopping rates in strongly disordered conjugated polymers based on the atomic structure of the system, the corresponding electronic states and their coupling to all phonon modes. We found that the dependence of hopping rates on distance and the dependence of the mobility on temperature are significantly different than the ones stemming from the simple Miller-Abrahams model, regardless of the choice of the parameters in the model. A model that satisfactorily describes the hopping rates in the system and avoids the explicit calculation of electron-phonon coupling constants was then proposed and verified. Our results indicate ... continued below

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Vukmirovic, Nenad & Wang, Lin-Wang July 30, 2010.

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We performed direct calculations of carrier hopping rates in strongly disordered conjugated polymers based on the atomic structure of the system, the corresponding electronic states and their coupling to all phonon modes. We found that the dependence of hopping rates on distance and the dependence of the mobility on temperature are significantly different than the ones stemming from the simple Miller-Abrahams model, regardless of the choice of the parameters in the model. A model that satisfactorily describes the hopping rates in the system and avoids the explicit calculation of electron-phonon coupling constants was then proposed and verified. Our results indicate that, in addition to electronic density of states, the phonon density of states and the spatial overlap of the wavefunctions are the quantities necessary to properly describe carrier hopping in disordered conjugated polymers.

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  • Journal Name: Applied Physics Letters; Journal Volume: 97; Journal Issue: 4

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  • Report No.: LBNL-4018E
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 993855
  • Archival Resource Key: ark:/67531/metadc1012429

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  • July 30, 2010

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  • Oct. 14, 2017, 8:36 a.m.

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  • Oct. 17, 2017, 6:03 p.m.

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Vukmirovic, Nenad & Wang, Lin-Wang. Carrier hopping in disordered semiconducting polymers: How accurate is the Miller-Abrahams model?, article, July 30, 2010; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc1012429/: accessed July 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.