Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States |
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Page 12
... force constants is obtained as ǝ2E a2f ( rm ) n = 6 . n 2 ər ər n m dr n - 2 a2t ( rp ) dr2 n ( 10 ) ( 11 ) ( 12 ) Pn ( Ž ) ] dt ( r ) a 2 Pn ( ) dr ar n m The diagonal term is a localized force constant which in general contains ...
... force constants is obtained as ǝ2E a2f ( rm ) n = 6 . n 2 ər ər n m dr n - 2 a2t ( rp ) dr2 n ( 10 ) ( 11 ) ( 12 ) Pn ( Ž ) ] dt ( r ) a 2 Pn ( ) dr ar n m The diagonal term is a localized force constant which in general contains ...
Page 14
Electronic Structure and Defect States Dionys Baeriswyl. the force constants associated with the fully symmetri- cal vibrational modes ( where only the diagonal terms in Eq . ( 13 ) are involved ) should be ... force constant by about 14 -
Electronic Structure and Defect States Dionys Baeriswyl. the force constants associated with the fully symmetri- cal vibrational modes ( where only the diagonal terms in Eq . ( 13 ) are involved ) should be ... force constant by about 14 -
Page 15
... force constant K and thus one may wonder if the resulting parameters are not sensitive to the Ansatz chosen for f ( r ) and t ( r ) . However , as shown be the following argument , the parameter set of Kakitani appears in fact to be ...
... force constant K and thus one may wonder if the resulting parameters are not sensitive to the Ansatz chosen for f ( r ) and t ( r ) . However , as shown be the following argument , the parameter set of Kakitani appears in fact to be ...
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