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Type: Artigo de periódico
Title: Extended States In Disordered Doped Polyacetylene Chains
Author: Lavarda F.C.
Galvao D.S.
Laks B.
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.
Rights: fechado
Identifier DOI: 10.1016/0379-6779(92)90267-M
Date Issue: 1992
Appears in Collections:Unicamp - Artigos e Outros Documentos

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