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Electronic structure of doped trans-polyacetylene

✍ Scribed by Ren Da-zhi; Zhuang Wei; Wang Jun


Publisher
Wuhan University
Year
2002
Tongue
English
Weight
216 KB
Volume
7
Category
Article
ISSN
1007-1202

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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