Density of electronic states in periodic and disordered chains of segmented polyacetylene

G. Hennico; J. Delhalle; J. M. André; J. L. Brédas

doi:10.1016/0379-6779(89)90621-8

Density of electronic states in periodic and disordered chains of segmented polyacetylene

G. Hennico, J. Delhalle, J. M. André, J. L. Brédas

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6 Scopus citations

Abstract

The density of valence one-electron states (DOVS) for different regular (periodic) and irregular models of segmented polyacetylene chains is computed with the Negative Factor Counting technique. To help in the interpretation of the evolution of the DOVS curves with the type of distribution in sp³ defects, a comparison of the results is made with VEH calculations on regular infinite chains. A discussion on the interruption of conjugation introduced in polyacetylene by the sp³ defects follows.

Original language	English (US)
Pages (from-to)	9-22
Number of pages	14
Journal	Synthetic Metals
Volume	31
Issue number	1
DOIs	https://doi.org/10.1016/0379-6779(89)90621-8
State	Published - Jul 1989
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/0379-6779(89)90621-8

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abstract = "The density of valence one-electron states (DOVS) for different regular (periodic) and irregular models of segmented polyacetylene chains is computed with the Negative Factor Counting technique. To help in the interpretation of the evolution of the DOVS curves with the type of distribution in sp3 defects, a comparison of the results is made with VEH calculations on regular infinite chains. A discussion on the interruption of conjugation introduced in polyacetylene by the sp3 defects follows.",

author = "G. Hennico and J. Delhalle and Andr{\'e}, {J. M.} and Br{\'e}das, {J. L.}",

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AU - Hennico, G.

AU - Delhalle, J.

AU - André, J. M.

AU - Brédas, J. L.

PY - 1989/7

Y1 - 1989/7

N2 - The density of valence one-electron states (DOVS) for different regular (periodic) and irregular models of segmented polyacetylene chains is computed with the Negative Factor Counting technique. To help in the interpretation of the evolution of the DOVS curves with the type of distribution in sp3 defects, a comparison of the results is made with VEH calculations on regular infinite chains. A discussion on the interruption of conjugation introduced in polyacetylene by the sp3 defects follows.

AB - The density of valence one-electron states (DOVS) for different regular (periodic) and irregular models of segmented polyacetylene chains is computed with the Negative Factor Counting technique. To help in the interpretation of the evolution of the DOVS curves with the type of distribution in sp3 defects, a comparison of the results is made with VEH calculations on regular infinite chains. A discussion on the interruption of conjugation introduced in polyacetylene by the sp3 defects follows.

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ER -

Density of electronic states in periodic and disordered chains of segmented polyacetylene

Abstract

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