Polarons and bipolarons in conjugated polymers: a density matrix renormalization group study

被引：3
|
作者：
Kuwabara, M [1 ]
Shimoi, Y [1 ]
Abe, S [1 ]
机构：
[1] Electrotech Lab, Tsukuba, Ibaraki 3058568, Japan
来源：
SYNTHETIC METALS | 1999年 / 101卷 / 1-3期
关键词：
many-body and quasiparticle theories; conjugated and or conducting polymers; polaron; bipolaron;
D O I：
10.1016/S0379-6779(98)00945-X
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Relative stability between a polaron and a bipolarons in nondegenerate conjugated polymers is investigated by the UHF and the density matrix renormalization group (DMRG) methods in the extended Hubbard-Peierls model. Lattice distortion is optimized by using the Hellmann-Feynman condition. We show that relative stability is very sensitive to electron correlation and that the correlation effect stabilizes the bipolaron state in the case the on-site Hubbard U is much larger than nearest-neighbor V, Furthermore, a new mechanism to stabilize bipolaron in strong V regime is suggested.
引用
收藏
页码：395 / 396
页数：2
相关论文
共 50 条
  • [1] Polarons and bipolarons in conjugated polymers: A density matrix renormalization group study
    Kuwabara, Makoto
    Shimoi, Yukihiro
    Abe, Shuji
    Synthetic Metals, 1999, 101 (01): : 395 - 396
  • [2] Polarons, Compressed Polarons, and Bipolarons in Conjugated Polymers
    Bakalis, Jin
    Cook, Andrew R.
    Asaoka, Sadayuki
    Forster, Michael
    Scherf, Ulrich
    Miller, John R.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118 (01): : 114 - 125
  • [3] Dynamics of polarons in conjugated polymers: An adaptive time-dependent density-matrix renormalization-group study
    Zhao, Hui
    Yao, Yao
    An, Zhong
    Wu, Chang-Qin
    PHYSICAL REVIEW B, 2008, 78 (03):
  • [4] Identification of excitons in conjugated polymers: A density-matrix renormalization-group study
    Boman, M
    Bursill, RJ
    PHYSICAL REVIEW B, 1998, 57 (24) : 15167 - 15176
  • [5] Density matrix renormalization group calculation of optical absorption in conjugated polymers
    Wen, GZ
    Su, WP
    SYNTHETIC METALS, 1997, 85 (1-3) : 1041 - 1042
  • [6] Dynamics of polarons and bipolarons with interchain coupling in conjugated polymers
    Pinheiro, CD
    Silva, GME
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2003, 95 (02) : 153 - 158
  • [7] COMPETITION BETWEEN POLARONS AND BIPOLARONS IN NONDEGENERATE CONJUGATED POLYMERS
    SHIMOI, Y
    ABE, S
    PHYSICAL REVIEW B, 1994, 50 (20): : 14781 - 14784
  • [8] COULOMB EFFECTS ON BIPOLARONS AND POLARONS IN NONDEGENERATE CONJUGATED POLYMERS
    SHIMOI, Y
    ABE, S
    SYNTHETIC METALS, 1995, 69 (1-3) : 687 - 688
  • [9] Use of polarons and bipolarons in logical switches based on conjugated polymers
    Pinheiro, CD
    Silva, GME
    PHYSICAL REVIEW B, 2002, 65 (09) : 1 - 5
  • [10] Dynamical effects on the competition between polarons and bipolarons in conjugated polymers
    Silva, GME
    Acioli, PH
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 539 : 45 - 53
12345