Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States |
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Page 17
... instability and bond alternation in polyacetylene The question of bond alternation in polymeric chains has been studied theoretically already by Lennard - Jones ( 1937 ) and Coulson ( 1938 ) and advanced as a hypothesis for explaining ...
... instability and bond alternation in polyacetylene The question of bond alternation in polymeric chains has been studied theoretically already by Lennard - Jones ( 1937 ) and Coulson ( 1938 ) and advanced as a hypothesis for explaining ...
Page 19
... instability . The Fourier transform of the bond- bond polarizability , Eq . ( 17 ) , can be calculated explicitly π ( q ) = N 212 nk nk + q [ 1 + cos ( 2k + q ) a ] O O 2 = Tt [ sin ( ga / 2 ) in εk - εk + q 1 + sin ( ga / 2 ) cos ( qa ...
... instability . The Fourier transform of the bond- bond polarizability , Eq . ( 17 ) , can be calculated explicitly π ( q ) = N 212 nk nk + q [ 1 + cos ( 2k + q ) a ] O O 2 = Tt [ sin ( ga / 2 ) in εk - εk + q 1 + sin ( ga / 2 ) cos ( qa ...
Page 22
... instability is indeed the dominant mechanism leading to the observed semiconducting behaviour . The optical gap E in trans - polyacetylene g has been measured by several groups . Depending on how the experiments are analyzed it varies ...
... instability is indeed the dominant mechanism leading to the observed semiconducting behaviour . The optical gap E in trans - polyacetylene g has been measured by several groups . Depending on how the experiments are analyzed it varies ...
Common terms and phrases
A.G. MacDiarmid A.J. Heeger A.R. Bishop amplitude Ansatz antikink associated Baeriswyl BdG equations benzene bipolarons bond alternation bond length bond order bond-bond polarizability boundary conditions Brazovskii and Kirova Brédas calculations conducting polymers configuration conjugation continuum limit corresponds Coulomb cut-off density diagonal dimerization disorder distortion dynamical matrix effects elastic energy electron correlation Etemad exciton Fermi Fincher fluctuations force constant function G.B. Street gap equation ground Hamiltonian Hartree-Fock Hellmann-Feynman theorem Hückel Hückel model Hückel theory impurity interaction interchain coupling J.R. Schrieffer Kakitani's Kiess kink kink defect kink-antikink pair Kivelson lattice Lett levels Maki mean-field midgap modes neutral kinks obtained optical absorption optical gap order parameter Peierls phase phonon Phys polaron polyacetylene polypyrrole potential quantum resonance integrals Section self-consistency condition Solid St.Commun soliton solution spin Strässler T-electron T.C. Clarke trans-polyacetylene valence band weak coupling yields Zerbi