Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation
arXiv:cond-mat/0508433 · doi:10.1103/PhysRevB.72.212201
Abstract
We report accurate numerical studies of excited state orderings in long hypothetical pi-conjugated oligomers in which the hydrogen atoms of trans-polyacetylene are replaced with conjugated sidegroups, within modified Hubbard models. There exists a range of the bare Coulomb repulsion for which the excited state ordering is conducive to photoluminescence in the substituted systems, even as this ordering is opposite in the unsubstituted polyenes of the same lengths. Our work provides motivation to study real pi-conjugated polymers with transverse conjugation and small optical gaps.
5 pages, 4 figs
References in corpus (5)
- Scaling of excitons in carbon nanotubes
- Electron-electron interaction effects on optical excitations in semiconducting single-walled carbon nanotubes
- Electron correlation induced transverse delocalization and longitudinal confinement in excited states of phenyl-substituted polyacetylenes
- Designing emissive conjugated polymers with small optical gaps: a step towards organic polymeric infrared lasers
- Prediction of infrared light emission from pi-conjugated polymers: a diagrammatic exciton basis valence bond theory