Utilize este identificador para citar ou criar um link para este item:
http://acervodigital.unesp.br/handle/11449/64260- Título:
- Extended states in disordered doped polyacetylene chains
- Universidade Estadual de Campinas (UNICAMP)
- Universidade Estadual Paulista (UNESP)
- 0379-6779
- 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)
- 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.
- 1-Set-1992
- Synthetic Metals, v. 51, n. 1-3, p. 169-173, 1992.
- 169-173
- 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
- http://dx.doi.org/10.1016/0379-6779(92)90267-M
- Acesso restrito
- outro
- http://repositorio.unesp.br/handle/11449/64260
Não há nenhum arquivo associado com este item.
Itens do Acervo digital da UNESP são protegidos por direitos autorais reservados a menos que seja expresso o contrário.