Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/60292
Type: Artigo de periódico
Title: INSULATOR-TO-METAL TRANSITION IN POLYTHIOPHENE
Author: LAVARDA, FC
DOSSANTOS, MC
GALVAO, DS
LAKS, B
Abstract: In the present work, the electronic structure of polythiophene at several doping levels is investigated by the use of the Huckel Hamiltonian with sigma-bond compressibility. Excess charges are assumed to be stored in conformational defects of the bipolaron type. The Hamiltonian matrix elements representative of a bipolaron are obtained from a previous thiophene oligomer calculation, and then transferred to very long chains. Negative factor counting and inverse iteration techniques have been used to evaluate densities of states and wave functions, respectively. Several types of defect distributions were analyzed. Our results are consistent with the following: (i) the bipolaron lattice does not present a finite density of states at the Fermi energy at any doping level; (ii) bipolaron clusters show an insulator-to-metal transition at 8 mol% doping level; (iii) segregation disorder shows an insulator-to-metal transition for doping levels in the range 20-30 mor %.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.49.979
Date Issue: 1994
Appears in Collections:Unicamp - Artigos e Outros Documentos

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