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.
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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 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 |
| URI: | https://discovery.ucl.ac.uk/id/eprint/66664 |
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