Publicação:
Extended states in disordered doped polyacetylene chains

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Data

1992-09-01

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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.

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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

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Inglês

Como citar

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

URI

http://hdl.handle.net/11449/64260

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Bauru - FC - Faculdade de Ciências

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