The intrinsic energy gap of crystalline trans-polyacetylene

Conference · Fri Jan 01 00:00:00 EST 1988

DOI:https://doi.org/10.1016/0379-6779(89)90694-2· OSTI ID:7144810

Vogl, P; Leising, G

Experimental data for the anisotropic optical conductivity of highly oriented nonfibrous trans-polyacetylene films and first-principles electronic structure calculations of crystalline 3-D trans-polyacetylene are presented. A comparison between the experimental data and the calculated density of states reveals that three-dimensional crystalline trans-polyacetylene has a direct minimum energy gap of 1.1 eV. 18 refs., 3 figs.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 7144810
• Report Number(s): LA-UR-88-2265; CONF-880669-11; ON: DE88014325
• Resource Relation: Journal Volume: 28; Journal Issue: 3; Conference: International conference on science and technology of synthetic metals, Santa Fe, NM, USA, 26 Jun 1988; Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
42 ENGINEERING
POLYACETYLENES
ELECTRONIC STRUCTURE
ENERGY LEVELS
BAND THEORY
ENERGY GAP
OPTICAL PROPERTIES
HYDROCARBONS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
POLYENES
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400201 - Chemical & Physicochemical Properties
420800 - Engineering- Electronic Circuits & Devices- (-1989)