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Breakdown of Polarons in Conducting Polymers at Device Field Strengths
KTH, School of Engineering Sciences (SCI), Applied Physics, Material Physics, MF.
KTH, School of Engineering Sciences (SCI), Applied Physics, Material Physics, MF.
KTH, School of Engineering Sciences (SCI), Applied Physics, Material Physics, MF. KTH, Centres, SeRC - Swedish e-Science Research Centre. Department of Physics and Astronomy, Materials Theory Division, Uppsala University, Box 516, SE-75120 Uppsala, Sweden.
2017 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 19, 10317-10324 p.Article in journal (Refereed) Published
Abstract [en]

Conducting polymers have become standard engineering materials used in many electronic devices. Despite this, there is a lack of understanding of the microscopic origin of the conducting properties, especially at realistic device field strengths. We present simulations of doped poly(p-phenylene) (PPP) using a Su–Schrieffer–Heeger (SSH) tight-binding model, with the electric field included in the Hamiltonian through a time-dependent vector potential via Peierls substitution of the phase factor. We find that polarons typically break down within less than a picosecond after the field has been switched on, already for electric fields as low as around 1.6 mV/Å. This is a field strength common in many flexible organic electronic devices. Our results challenge the relevance of the polaron as charge carrier in conducting polymers for a wide range of applications.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2017. Vol. 121, no 19, 10317-10324 p.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-219313DOI: 10.1021/acs.jpcc.7b02368ISI: 000402024200008Scopus ID: 2-s2.0-85020647285OAI: oai:DiVA.org:kth-219313DiVA: diva2:1162239
Funder
Swedish Research CouncilKnut and Alice Wallenberg FoundationCarl Tryggers foundation
Available from: 2017-12-04 Created: 2017-12-04 Last updated: 2017-12-12Bibliographically approved

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