Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 33
... band ( c ) = + Ek , where Ex = ( 4t2 cos2 k + 43 sin2 k ) 1 / 2 . ( 2.42 ) In particular , there is an energy or band gap of 240 between the top of the valence band , the highest occupied molecular orbital ( HOMO ) , and the bottom of ...
... band ( c ) = + Ek , where Ex = ( 4t2 cos2 k + 43 sin2 k ) 1 / 2 . ( 2.42 ) In particular , there is an energy or band gap of 240 between the top of the valence band , the highest occupied molecular orbital ( HOMO ) , and the bottom of ...
Page 179
... band gap may be due to varying bond lengths , non - planarity of the molecules and different conformations ; results hereof are also presented . Probably the most complete calculations of the band gap and band structure have been ...
... band gap may be due to varying bond lengths , non - planarity of the molecules and different conformations ; results hereof are also presented . Probably the most complete calculations of the band gap and band structure have been ...
Page 182
... band gap and rotational disorder to give rise to a broadening of the optical absorption feature at the band gap . In the case of cis - polyacetylene , helix formation would give rise to a dramatic increase of the band gap , from 1.5 eV ...
... band gap and rotational disorder to give rise to a broadening of the optical absorption feature at the band gap . In the case of cis - polyacetylene , helix formation would give rise to a dramatic increase of the band gap , from 1.5 eV ...
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Common terms and phrases
A.J. Heeger atoms Baeriswyl band gap behaviour bipolarons bond alternation bond lengths calculations chain charge carriers charged solitons Chem chemical shift cis-(CH conducting polymers conjugated polymers correlation Coulomb interaction coupling Cryst D.K. Campbell defects dielectric function diffusion dimerization discussed dopant dopant concentration dopant molecules doping doping levels e-e interactions effects electron correlation electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental frequency function Hamiltonian Hartree-Fock hopping Hubbard model Hückel hyperfine interactions inter-chain Kivelson lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap parameters peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman resonance samples Sect shown in Fig spectra spectrum spin density structure symmetry Synth tensor theory trans trans-(CH trans-polyacetylene transition valence values Vardeny