Extended states in disordered doped polyacetylene chains
Nenhuma Miniatura disponível
Data
1992-09-01
Autores
Lavarda, Francisco Carlos [UNESP]
Galvão, D. S.
Laks, B.
Título da Revista
ISSN da Revista
Título de Volume
Editor
Resumo
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.
Descrição
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
Como citar
Synthetic Metals, v. 51, n. 1-3, p. 169-173, 1992.