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Band structure and conductivity of metallic polyacetylene

✍ Scribed by Conwell, E.M.; Mizes, H.A.; Jeyadev, S.

Book ID: 123057999
Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 264 KB
Volume: 43
Category: Article
ISSN: 0379-6779
DOI: 10.1016/0379-6779(91)91299-P

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## Abstract In the present paper, the band structures of valence‐band and conduction‐band for polyacetylene and Lidoped polyacetylene were calculated by LCAO‐SCF ab initio crystal orbital (CO) method. The influences of doping on the geometric structures, the band structures, and the changes of atom