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Investigation of the electronic structure of the TCNQ-TTF system: II. All-valence-electron band structures of infinite TCNQ and TTF chains

โœ Scribed by A. Karpfen; J. Ladik; G. Stollhoff; P. Fulde

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
561 KB
Volume
8
Category
Article
ISSN
0301-0104

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All-valence-electron band structures of
All-valence-electron band structures of infinite stacked poly(TCNQ) and poly(TTF) chains
โœ A. Karpfen; J. Ladik; G. Stollhoff; P. Fulde ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 495 KB

We have computed the energy band structures of the infmite poly(TCNQ), poly(TCNQ\*\_), poIy(ITF) and polyUTF2f) chains using the CNDO/Z and where possible tbe MNDO/Z crystal orbital approximation schemes. The retits show E broad conr',uction band for poljj(TCNQ) and a broad valence band for poly(l'T