Interchain coupling and 3D modeling of trans-polyacetylene

Conference · Tue Sep 01 00:00:00 EDT 1992

OSTI ID:10170035

Bronold, F; Saxena, A; Bishop, A R

In spite of the success of the SSH model for trans-polyacetylene in interpreting many experimental results (e.g. optical and magnetic properties) there remain some aspects of the real material which are outside the scope of the simple 1D model. Especially ordering phenomena of doped and undoped trans-polyacetylene as well as transport properties (e.g. electronic and thermal conductivity) are beyond a 1D description. There are many attempts to construct a transport theory for this novel class of materials using solitons or polaxons as the basic ingredients. But so far it is not yet clear whether these typical 1D excitations still exist in crystalline transpolyacetylene. Therefore, to clarify the role which intrinsic self-localized nonlinear excitations characteristic of 1D models play in the bulk (3D) material, we study the stability of a polaronic excitation against interchain coupling. As a preliminary step we consider first two coupled t-(CH){sub x}-chains where the {pi}-electrons are allowed to hop from one chain to the other. Then we introduce a 3D generalization of the SSH model and study a polaron in a 3D crystalline environment.

• Research Organization: Los Alamos National Lab., NM (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 10170035
• Report Number(s): LA-UR-92-2320; CONF-9205229-1; ON: DE92018921
• Resource Relation: Conference: Center for Nonlinear Studies (CNLS) conference: nonlinearity in materials science,Los Alamos, NM (United States),May 1992; Other Information: PBD: [1992]
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
36 MATERIALS SCIENCE
ACETYLENE
MATHEMATICAL MODELS
PHYSICAL PROPERTIES
HAMILTONIANS
THREE-DIMENSIONAL CALCULATIONS
COUPLING
TRANSPORT THEORY
POLARONS
SOLITONS
THERMAL CONDUCTIVITY
NONLINEAR PROBLEMS
664400
360606
EXPERIMENTALLY DERIVED INFORMATION ON ATOMIC AND MOLECULAR PROPERTIES