ON THE DISORDERED DISTRIBUTION OF DEFECTS IN TRANSPOLYACETYLENE

被引：9

作者：

LAVARDA, FC ^{[1
]}

DOSSANTOS, DA ^{[1
]}

GALVAO, DS ^{[1
]}

LAKS, B ^{[1
]}

机构：

[1] UNIV ESTADUAL CAMPINAS,INST FIS GLEB WATAGHIN,BR-13081 CAMPINAS,SP,BRAZIL

来源：

CHEMICAL PHYSICS | 1991年 / 155卷 / 01期

关键词：

D O I：

10.1016/0301-0104(91)87001-C

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report a theoretical study on the effect of the presence of conformational defects (soliton type) on the electronic properties of large trans-polyacetylene chains. The negative factor counting method was used in a tight-binding parametrization with the geometrical data from Austin method 1 calculations. A comparative study of the ordered and disordered distribution of defects is presented. We discuss the implications of the presence of disorder on the electronic behavior of polyacetylene.

引用

页码：1 / 5

页数：5

共 27 条

[1] ABSENCE OF DIFFUSION IN CERTAIN RANDOM LATTICES [J].

ANDERSON, PW .

PHYSICAL REVIEW, 1958, 109 (05) :1492-1505

[2] SOLITONS AND POLARONS IN POLYACETYLENE - SELF-CONSISTENT-FIELD CALCULATIONS OF THE EFFECT OF NEUTRAL AND CHARGED DEFECTS ON MOLECULAR-GEOMETRY [J].

BOUDREAUX, DS ;

CHANCE, RR ;

BREDAS, JL ;

SILBEY, R .

PHYSICAL REVIEW B, 1983, 28 (12) :6927-6936

[3] COMPARATIVE THEORETICAL-STUDY OF THE DOPING OF CONJUGATED POLYMERS - POLARONS IN POLYACETYLENE AND POLYPARAPHENYLENE [J].

BREDAS, JL ;

CHANCE, RR ;

SILBEY, R .

PHYSICAL REVIEW B, 1982, 26 (10) :5843-5854

[4] SOLITONS AT HIGH-DENSITY IN TRANS-(CH)X - COLLECTIVE TRANSPORT BY MOBILE, SPINLESS CHARGED SOLITONS [J].

CHUNG, TC ;

MORAES, F ;

FLOOD, JD ;

HEEGER, AJ .

PHYSICAL REVIEW B, 1984, 29 (04) :2341-2343

[5]

CLEMENTI E, 1963, J CHEM PHYS, V38, P2826

[6] HARTREE-FOCK CALCULATION FOR DISORDERED POLYMERS [J].

DAY, RS ;

MARTINO, F .

CHEMICAL PHYSICS LETTERS, 1981, 84 (01) :86-90

[7] ON DISORDERED ONE-DIMENSIONAL CRYSTALS [J].

DEAN, P .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1959, 73 (471) :413-421

[8] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[9] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

ZOEBISCH, EG ;

HEALY, EF ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909

[10] PROTONIC DOPING EFFECTS ON THE ELECTRONIC BEHAVIOR OF POLY(P-PHENYLENE-CO-2,5-PYRAZINE) [J].

DOSSANTOS, DA ;

GALVAO, DS ;

LAKS, B .

SOLID STATE COMMUNICATIONS, 1990, 74 (04) :215-217

← 1 2 3 →