Energy band structure of (SN)x chain: Unrestricted Hartree-Fock and charge density wave solutions

1978 ◽  
Vol 14 (3) ◽  
pp. 239-243 ◽  
Author(s):  
M. Kertesz ◽  
J. Koller ◽  
A. A?man
Keyword(s):  
Band Structure ◽  
Charge Density ◽  
Energy Band ◽  
Charge Density Wave ◽  
Density Wave ◽  
Energy Band Structure ◽  
Hartree Fock ◽  
Wave Solutions

The Energy Band Structure of Polyacene with Soliton Excitation

1997 ◽  
Vol 11 (11) ◽  
pp. 477-483 ◽  
Author(s):  
Z. J. Li ◽  
H. B. Xu ◽  
K. L. Yao
Keyword(s):  
Band Structure ◽  
Charge Density ◽  
Energy Band ◽  
Energy Gap ◽  
Electronic States ◽  
Energy Band Structure ◽  
Energy Spectra ◽  
Energy Band Gap ◽  
The One ◽  
Soliton Excitation

Starting from the extensional Su–Schrieffer–Heeger model taking into account the effects of interchain coupling, we have studied the energy spectra and electronic states of soliton excitation in polyacene. The dimerized displacement u0 is found to be similar to the case of trans-polyacetylene, and equals to 0.04 Å. The energy-band gap is 0.38 eV, in agreement with the results derived by other authors. Two new bound electronic states have been found in the conduction band and in the valence band, which is different from the one of trans-polyacetylene. There exists two degenerate soliton states in the center of energy gap. Furthermore, the distribution of charge density and spin density have been discussed in detail.

Magnetoresistance in pulsed fields, band structure calculations and charge-density wave instability in (TSeT)2Cl

1995 ◽  
Vol 70 (1-3) ◽  
pp. 1279-1280 ◽  
Author(s):  
F. Goze ◽  
A. Audouard ◽  
L. Brossard ◽  
V.N. Laukhin ◽  
J.P. Ulmet ◽  
...  
Keyword(s):  
Band Structure ◽  
Charge Density ◽  
Charge Density Wave ◽  
Density Wave ◽  
Wave Instability ◽  
Band Structure Calculations ◽  
Pulsed Fields ◽  
Structure Calculations
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