EFFECT OF TOPOLOGICAL DEFECTS AND SITE IMPURITIES IN CONJUGATED POLYMER-CHAINS

被引:4
作者
ROSSI, G
机构
关键词
D O I
10.1016/0379-6779(92)90093-X
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The effect of branch points and site impurities on a conjugated trans-polyacetylene chain is studied using minimum energy calculations performed directly on the Su-Schrieffer-Heeger Hamiltonian. New mid-gap states found in the case of branched molecules are described. The evolution of nonlinear excitations as a site potential is turned on is investigated.
引用
收藏
页码:221 / 229
页数:9
相关论文
共 10 条
[1]  
Feast W.J., 1986, HDB CONDUCTING POLYM, P1
[2]   WHY POLYACETYLENE DIMERIZES - RESULTS OF ABINITIO COMPUTATIONS [J].
KONIG, G ;
STOLLHOFF, G .
PHYSICAL REVIEW LETTERS, 1990, 65 (10) :1239-1242
[3]   THE ALTERNATION OF BOND LENGTHS IN LONG CONJUGATED CHAIN MOLECULES [J].
LONGUETHIGGINS, HC ;
SALEM, L .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1959, 251 (1265) :172-185
[4]   SEMICONDUCTOR-METAL TRANSITION IN DOPED POLYACETYLENE [J].
MELE, EJ ;
RICE, MJ .
PHYSICAL REVIEW B, 1981, 23 (10) :5397-5412
[5]   MINIMUM TOTAL ENERGY CALCULATIONS FOR CONJUGATED POLYMER-CHAINS [J].
ROSSI, G .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (05) :4031-4041
[6]   SOLITON EXCITATIONS IN POLYACETYLENE [J].
SU, WP ;
SCHRIEFFER, JR ;
HEEGER, AJ .
PHYSICAL REVIEW B, 1980, 22 (04) :2099-2111
[7]   SOLITONS IN POLYACETYLENE [J].
SU, WP ;
SCHRIEFFER, JR ;
HEEGER, AJ .
PHYSICAL REVIEW LETTERS, 1979, 42 (25) :1698-1701
[8]   EFFECTS OF DISORDER ON THE ELECTRONIC-STRUCTURE OF UNDOPED POLYACETYLENE [J].
VANDERBILT, D ;
MELE, EJ .
PHYSICAL REVIEW B, 1980, 22 (08) :3939-3948
[9]   DEFECTS IN DOPED POLYACETYLENE - AN ABINITIO INFRARED AND RAMAN-SPECTROSCOPY OF SOLITONS [J].
VILLAR, HO ;
DUPUIS, M ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (08) :5252-5254
[10]   ABINITIO STUDY OF CHARGED POLYENES AS CHARGE-CARRIER MODELS IN CONDUCTING POLYMERS [J].
VILLAR, HO ;
DUPUIS, M ;
CLEMENTI, E .
PHYSICAL REVIEW B, 1988, 37 (05) :2520-2528