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DEFECT ELECTRONIC STATES IN BETA-CAROTENE AND LOWER HOMOLOGS

VALLADARES, RM; HAYES, W; FISHER, AJ; STONEHAM, AM; (1993) DEFECT ELECTRONIC STATES IN BETA-CAROTENE AND LOWER HOMOLOGS. J PHYS-CONDENS MAT , 5 (38) 7049 - 7062. 10.1088/0953-8984/5/38/002. Green open access

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Abstract

We present semi-empirical calculations of the atomic geometries and electronic charge distributions of beta-carotene homologues of different chain lengths. We find defects in charged and photoexcited chains that are similar to the defects found in the degenerate polymer trans-polyacetylene, and we show how confinement affects these defects as the chains we shortened. Our results exhibit a generalized form of charge-conjugation symmetry in which the properties of a negatively charged defect are related to those of a positive one and vice versa.

Type: Article
Title: DEFECT ELECTRONIC STATES IN BETA-CAROTENE AND LOWER HOMOLOGS
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0953-8984/5/38/002
Publisher version: http://dx.doi.org/10.1088/0953-8984/5/38/002
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
Keywords: BU EXCITED-STATE, CONDUCTING POLYMERS, POLYACETYLENE, SOLITONS, RELAXATION, POLYENES
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/66664
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