Molecular vibrations and dynamics of soliton lattice for trans-polyacetylene

被引:2
|
作者
Mori, Y [1 ]
Catlow, CRA [1 ]
机构
[1] UCL ROYAL INST GREAT BRITAIN, LONDON W1X 4BS, ENGLAND
来源
MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1996年 / 285卷
关键词
D O I
10.1080/10587259608030807
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
A semi-empirical MNDO method has been used to study soliton behaviours in trans-polyacetylene. The optimized structure shows a soliton lattice. The vibrational modes for the lattice structure have been calculated. One of the C-C stretching modes is a soliton lattice sliding mode. In putting some initial kinetic energy into this mode, molecular dynamics simulations have been carried out. The charged soliton lattice can slide along the polymer chain. On applying an electric field, the automatic sliding of the soliton lattice has been observed. The sliding motion couples strongly with one of the C-C stretching modes. This coupling is found to help to stabilize the lattice sliding speed.
引用
收藏
页码:235 / 240
页数:6
相关论文
共 50 条
  • [21] DIFFUSION PROPERTIES OF THE MUON-PRODUCED SOLITON IN TRANS-POLYACETYLENE
    ISHIDA, K
    NAGAMINE, K
    MATSUZAKI, T
    KUNO, Y
    YAMAZAKI, T
    TORIKAI, E
    SHIRAKAWA, H
    BREWER, JH
    PHYSICAL REVIEW LETTERS, 1985, 55 (19) : 2009 - 2012
  • [22] Electronic coherence dynamics in trans-polyacetylene oligomers
    Franco, Ignacio
    Brumer, Paul
    JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (14):
  • [23] Soliton and polaron transport in trans-polyacetylene -: art. no. 045207
    Johansson, A
    Stafstrom, S
    PHYSICAL REVIEW B, 2002, 65 (04): : 1 - 7
  • [24] DYNAMIC EFFECTS OF THE IMPURITY POTENTIAL AND ELECTRON INTERACTIONS ON A SOLITON IN TRANS-POLYACETYLENE
    GLICK, AJ
    COHEN, RJ
    BRYANT, GW
    PHYSICAL REVIEW B, 1988, 37 (05): : 2653 - 2656
  • [25] BINDING-ENERGY OF A CHARGED SOLITON TO A DOPANT ION IN TRANS-POLYACETYLENE
    HOWARD, IA
    CONWELL, EM
    SYNTHETIC METALS, 1985, 10 (05) : 297 - 302
  • [26] FEMTOSECOND DYNAMICS OF PHOTOGENERATED SOLITONS AND POLARONS IN TRANS-POLYACETYLENE
    ROTHBERG, L
    JEDJU, TM
    TOWNSEND, PD
    ETEMAD, S
    BAKER, GL
    PHYSICAL REVIEW LETTERS, 1990, 65 (01) : 100 - 103
  • [27] NEW ANALYSIS OF SOLITON DYNAMICS IN TRANS-POLYACETYLENE - MOTIONAL EFFECTS OF DYNAMIC NUCLEAR-POLARIZATION SPECTRA
    ROBINSON, BH
    COFFINO, AR
    PHYSICAL REVIEW LETTERS, 1990, 64 (15) : 1773 - 1776
  • [28] EXCITED-STATES AND THEIR RELAXATION DYNAMICS IN TRANS-POLYACETYLENE
    TAKIMOTO, J
    SASAI, M
    PHYSICAL REVIEW B, 1989, 39 (12): : 8511 - 8524
  • [29] FAR INFRARED-SPECTRA OF THE LATTICE MODES IN TRANS-POLYACETYLENE AND CIS-POLYACETYLENE
    BECHTOLD, G
    GENZEL, L
    ROTH, S
    SOLID STATE COMMUNICATIONS, 1985, 53 (01) : 1 - 3
  • [30] INTERCHAIN COUPLING IN TRANS-POLYACETYLENE
    FESSER, K
    PHYSICAL REVIEW B, 1989, 40 (03): : 1962 - 1965