Ground state and polaron and bipolaron excited states in polydiacetylene

Yuan Li; Guichao Hu; Caijuan Xia; Desheng Liu; Shijie Xie

doi:10.1007/s11433-006-2002-7

Ground state and polaron and bipolaron excited states in polydiacetylene

Yuan Li^*, Guichao Hu, Caijuan Xia, Desheng Liu, Shijie Xie

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.

Original language	English (US)
Pages (from-to)	430-439
Number of pages	10
Journal	Science in China, Series G: Physics Astronomy
Volume	49
Issue number	4
DOIs	https://doi.org/10.1007/s11433-006-2002-7
State	Published - Aug 2006
Externally published	Yes

Keywords

Binding energy
Bipolaron
Dimerization
Polaron

ASJC Scopus subject areas

General Physics and Astronomy

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10.1007/s11433-006-2002-7

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title = "Ground state and polaron and bipolaron excited states in polydiacetylene",

abstract = "The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.",

keywords = "Binding energy, Bipolaron, Dimerization, Polaron",

author = "Yuan Li and Guichao Hu and Caijuan Xia and Desheng Liu and Shijie Xie",

year = "2006",

month = aug,

doi = "10.1007/s11433-006-2002-7",

language = "English (US)",

volume = "49",

pages = "430--439",

journal = "Science in China, Series G: Physics Astronomy",

issn = "1672-1799",

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TY - JOUR

T1 - Ground state and polaron and bipolaron excited states in polydiacetylene

AU - Li, Yuan

AU - Hu, Guichao

AU - Xia, Caijuan

AU - Liu, Desheng

AU - Xie, Shijie

PY - 2006/8

Y1 - 2006/8

N2 - The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.

AB - The electronic properties of ground state and charged excited states of nondegenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.

KW - Binding energy

KW - Bipolaron

KW - Dimerization

KW - Polaron

UR - http://www.scopus.com/inward/record.url?scp=33747846907&partnerID=8YFLogxK

U2 - 10.1007/s11433-006-2002-7

DO - 10.1007/s11433-006-2002-7

M3 - Article

AN - SCOPUS:33747846907

SN - 1672-1799

VL - 49

SP - 430

EP - 439

JO - Science in China, Series G: Physics Astronomy

JF - Science in China, Series G: Physics Astronomy

IS - 4

ER -

Ground state and polaron and bipolaron excited states in polydiacetylene

Abstract

Keywords

ASJC Scopus subject areas

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