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Insulator to semime...
Insulator to semimetallic transition in conducting polymers
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- Munoz, William Armando (author)
- Linköpings universitet,Institutionen för teknik och naturvetenskap,Tekniska fakulteten
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- Singh, Sandeep Kumar (author)
- Linköpings universitet,Institutionen för teknik och naturvetenskap,Tekniska fakulteten
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- Franco Gonzalez, Felipe (author)
- Linköpings universitet,Institutionen för teknik och naturvetenskap,Tekniska fakulteten
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- Linares, Mathieu (author)
- Linköpings universitet,Bioinformatik,Tekniska fakulteten
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- Crispin, Xavier (author)
- Linköpings universitet,Fysik och elektroteknik,Tekniska fakulteten
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- Zozoulenko, Igor (author)
- Linköpings universitet,Fysik och elektroteknik,Tekniska fakulteten
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(creator_code:org_t)
- American Physical Society, 2016
- 2016
- English.
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In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 94:20
- Related links:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- We report a multiscale modeling of electronic structure of a conducting polymer poly(3,4-ethylenedioxythiopehene) (PEDOT) based on a realistic model of its morphology. We show that when the charge carrier concentration increases, the character of the density of states (DOS) gradually evolves from the insulating to the semimetallic, exhibiting a collapse of the gap between the bipolaron and valence bands with the drastic increase of the DOS between the bands. The origin of the observed behavior is attributed to the effect of randomly located counterions giving rise to the states in the gap. These results are discussed in light of recent experiments. The method developed in this work is general and can be applied to study the electronic structure of other conducting polymers.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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