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Band structure parameters for solid TTFTCNQ

✍ Scribed by A.John Berlinsky; James F. Carolan; Larry Weiler


Book ID
103376884
Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
471 KB
Volume
15
Category
Article
ISSN
0038-1098

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All-valence-electron band structures of
✍ A. Karpfen; J. Ladik; G. Stollhoff; P. Fulde 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 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