Extended states in disordered doped polyacetylene chains
| Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
|---|---|
| Data(s) |
27/05/2014
27/05/2014
01/09/1992
|
| Resumo |
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. |
| Formato |
169-173 |
| Identificador |
http://dx.doi.org/10.1016/0379-6779(92)90267-M Synthetic Metals, v. 51, n. 1-3, p. 169-173, 1992. 0379-6779 http://hdl.handle.net/11449/64260 10.1016/0379-6779(92)90267-M 2-s2.0-0026913871 |
| Idioma(s) |
eng |
| Relação |
Synthetic Metals |
| Direitos |
closedAccess |
| Palavras-Chave | #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 |
| Tipo |
info:eu-repo/semantics/article |
