Extended states in disordered doped polyacetylene chains

Lavarda, Francisco Carlos; Galvão, D. S.; Laks, B.

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/64260

Title:

Extended states in disordered doped polyacetylene chains

Author(s):

Institution:

Universidade Estadual de Campinas (UNICAMP)
Universidade Estadual Paulista (UNESP)

ISSN:

0379-6779

Sponsorship:

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Abstract:

In this work we study the electronic structure of ordered and disordered distributions of soliton-type defects along large, finite chains of trans-polyacetylene (trans-PA), as a function of the concentration of defects. The Negative Factor Counting method was used in a tight-binding parameterization with the geometrical data from Austin Method 1 calculations. Our results show the presence of extended (conducting) states at the Fermi level that could explain the semiconductor-metal transition for highly doped trans-polyacetylene, in accordance with the experimentally observed infrared-active vibrational states. © 1992.

Issue Date:

1-Sep-1992

Citation:

Synthetic Metals, v. 51, n. 1-3, p. 169-173, 1992.

Time Duration:

169-173

Keywords:

Conductive plastics
Crystal defects
Crystal structure
Electronic properties
Physical chemistry
Solid state physics
Doped trans polyacetylene
Electronic structure
Extended states
Negative factor counting method
Soliton type defects
Vibrational states
Polyacetylenes

Source:

http://dx.doi.org/10.1016/0379-6779(92)90267-M

URI:

Access Rights:

Acesso restrito

Type:

outro

Source:

http://repositorio.unesp.br/handle/11449/64260

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