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Electronic band structure of model polydiacetylene chains

✍ Scribed by D.E. Parry

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
238 KB
Volume
43
Category
Article
ISSN
0009-2614

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✦ Synopsis

Calculations arc rcportcd of the clcctronic band structure of model polydiacctylcnc extcndcd chains, with the lake side groups rcprcscntcd by II or C=C-H, using the cxtcndcd MuLkcl llncar combmation of atomic orbit& approximation. PCCdictcd band gap widths arc in good aprccmcnt with the results of an earlier n-band cnlculdtlon, and concidcrably smaller thaE expcrnncntal values.

πŸ“œ SIMILAR VOLUMES

Self-consistent electronic band structur
Self-consistent electronic band structures of extended polydiacetylene chains with realistic model side groups
✍ D.E. Parry πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 319 KB

Reccivcd I5 Dcccmbcr 1976 Scil-consistent xxn~rmpirnxl band C1ructurc caicuiJtlon\ For lroidtcd extcndcd poiydixetyiene chains airh a v.lricty of rcahstlc modci Fide groups hdvc been pcrformcd. I or side groups with a CH2 group nelt to 111c CII.UI bockbone tbc prcd~ctcd bdnd gip A = 0.5 CV 15 sub\t.

Effects of electron–electron interaction
Effects of electron–electron interaction on the band structure in polydiacetylenes
✍ H.-F. Hu; K. L. Yao πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 128 KB πŸ‘ 3 views

The ground-state band structure of polydiacetylenes is theoretically studied with the extensional Su-Schriffer-Heeger model supplemented by electron-electron interactions. The results show the following. First, the interval of valence bands (conduction bands) increases because of the electron-electr

Electronic structures of polydiacetylene
Electronic structures of polydiacetylene backbones
✍ M. Kertesz; J. Koller; A. AΕΎman πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 146 KB

Energies per unit cell for various polydiacetylene backbone sequences are determined. The unrestricted Hartree-Fock ap-proa& is used to obtam the lowest energy transitions. Recently a great deal of interest has been centered on polydiacetylene @'DA) crystals since they are the only conjugated organi