Model calculation of the band energy gap for poly(p-phenylenevinylene)
SCIE
SCOPUS
- Title
- Model calculation of the band energy gap for poly(p-phenylenevinylene)
- Authors
- Zhao, H; Kim, KS
- Date Issued
- 2001-01-29
- Publisher
- IOP PUBLISHING LTD
- Abstract
- The direct band gap of the conjugated polymer poly(p-phenylenevinylene) (PPV) is calculated in an effective single-band model by means of a renormalization scheme. This model provides a simple computational method for obtaining the band gap of a many-band conjugated pi -electron system of long polymers. The calculation shows that, for the existing data for PPV, the present renormalization scheme works well and its results as regards the band energy gap are comparable to those obtained by other approaches including ab initio calculation.
- Keywords
- LIGHT-EMITTING-DIODES; CONJUGATED POLYMERS; CONDUCTING POLYMERS; OPTICAL-PROPERTIES; EXCITONS; POLY(PARA-PHENYLENEVINYLENE); VINYLENE); EXCITATIONS; ABSORPTION; SPECTRA
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/19686
- DOI
- 10.1088/0953-8984/13/4/305
- ISSN
- 0953-8984
- Article Type
- Article
- Citation
- JOURNAL OF PHYSICS-CONDENSED MATTER, vol. 13, no. 4, page. 579 - 593, 2001-01-29
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