Ab initio tight-binding study of exciton optical and electro-optic properties of conjugated polymers

被引:5
作者
Pedersen, TG [1 ]
Lynge, TB [1 ]
机构
[1] Univ Aalborg, Inst Phys, DK-9220 Aalborg, Denmark
关键词
tight-binding; excitons; electro-optics; conjugated polymers;
D O I
10.1016/S0927-0256(02)00435-4
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A simplified ab initio description of excitons in conjugated polymers is presented. Electron-hole pair states are derived from the Bethe-Salpeter equation using an expansion in density-functional based tight-binding states. The pair states, in turn, provide the optical and electro-optic response of the polymer. As examples, optical and electro-optic spectra of poly(para-phenylene vinylene) and poly(para-phenylene) are presented. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:123 / 127
页数:5
相关论文
共 12 条
  • [1] Ab initio calculation of ε2(ω) including the electron-hole interaction:: Application to GaN and CaF2
    Benedict, LX
    Shirley, EL
    [J]. PHYSICAL REVIEW B, 1999, 59 (08) : 5441 - 5451
  • [2] Density-functional and plane-wave approach to structural properties of poly(p-phenylene) and poly(p-phenylene vinylene)
    Capaz, RB
    Caldas, MJ
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 464 (1-3): : 31 - 38
  • [3] Quasiparticle spectra of trans-polyacetylene
    Ethridge, EC
    Fry, JL
    Zaider, M
    [J]. PHYSICAL REVIEW B, 1996, 53 (07): : 3662 - 3668
  • [4] Greenham N. C., 1995, SOLID STATE PHYS, V49, P1
  • [5] Electron-hole correlations in semiconductor quantum dots with tight-binding wave functions -: art. no. 195318
    Lee, S
    Jönsson, L
    Wilkins, JW
    Bryant, GW
    Klimeck, G
    [J]. PHYSICAL REVIEW B, 2001, 63 (19)
  • [6] Electroabsorption spectroscopy of luminescent and nonluminescent π-conjugated polymers
    Liess, M
    Jeglinski, S
    Vardeny, ZV
    Ozaki, M
    Yoshino, K
    Ding, Y
    Barton, T
    [J]. PHYSICAL REVIEW B, 1997, 56 (24) : 15712 - 15724
  • [7] Electromodulation in poly(para-phenylene)-type ladder polymer
    Meinhardt, G
    Horvath, A
    Weiser, G
    Leising, G
    [J]. SYNTHETIC METALS, 1997, 84 (1-3) : 669 - 670
  • [8] Free-carrier and exciton Franz-Keldysh theory for one-dimensional semiconductors
    Pedersen, TG
    Lynge, TB
    [J]. PHYSICAL REVIEW B, 2002, 65 (08): : 1 - 9
  • [9] CONSTRUCTION OF TIGHT-BINDING-LIKE POTENTIALS ON THE BASIS OF DENSITY-FUNCTIONAL THEORY - APPLICATION TO CARBON
    POREZAG, D
    FRAUENHEIM, T
    KOHLER, T
    SEIFERT, G
    KASCHNER, R
    [J]. PHYSICAL REVIEW B, 1995, 51 (19): : 12947 - 12957
  • [10] Optical excitations in conjugated polymers
    Rohlfing, M
    Louie, SG
    [J]. PHYSICAL REVIEW LETTERS, 1999, 82 (09) : 1959 - 1962