Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States |
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Page 11
... levels with negative energy are doubly occupied and the positive energy levels are empty . The expectation value for the bond order is < Pn > = N + Σ cos ka < ckscks > ks In the case of benzene the levels k = 0 and ka = ± π / 3 are ...
... levels with negative energy are doubly occupied and the positive energy levels are empty . The expectation value for the bond order is < Pn > = N + Σ cos ka < ckscks > ks In the case of benzene the levels k = 0 and ka = ± π / 3 are ...
Page 54
... levels . The proof that the self - consistency relation is exactly fulfilled for particular values of Ko is similar to that given in section 4.1 for the kink and is outlined in Appendix B. Here we quote only the es- sential results ...
... levels . The proof that the self - consistency relation is exactly fulfilled for particular values of Ko is similar to that given in section 4.1 for the kink and is outlined in Appendix B. Here we quote only the es- sential results ...
Page 56
... levels in the gap are empty or doubly occupied , which is often referred to as " bipolaron " ( Fig . 9 ) , and the " exciton " ( Fig . 10 ) which is a bound state of oppositely charged defects where both levels are singly occupied . In ...
... levels in the gap are empty or doubly occupied , which is often referred to as " bipolaron " ( Fig . 9 ) , and the " exciton " ( Fig . 10 ) which is a bound state of oppositely charged defects where both levels are singly occupied . In ...
Common terms and phrases
A.J. Heeger absorption amplitude approximation associated assume Baeriswyl band becomes Bishop bond alternation bond length bond order boundary calculations Campbell chain changes charge conducting configuration consider constant continuum limit correlation corresponds coupling defect density depend described determined dimerization discrete discuss disorder distortion dynamical effects electronic energy equation et al expected experiments extent field fluctuations force function given gives ground Hamiltonian hand Hückel impurity increasing integral interaction interchain coupling involved kink lattice leads Lett levels limit MacDiarmid Mele modes Notice observed obtained optical parameter particular Peierls phase phonon Phys Physics points polaron polyacetylene polymers potential presented produced properties proposed represents respect Rice Schrieffer self-consistency shown single Solid soliton solution strongly structure temperature theory whereas yields