Optical characterization of ground states of polyacene

Details Optical characterization of ground states of polyacene Optical characterization of ground states of polyacene

2008-12-23

arxiv.org/abs/0812.4357v1

Phys. Rev. B 78, 235205 (2008)

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages with 6 figures embedded

Scientific paper

10.1103/PhysRevB.78.235205

We investigate the ground-state properties of polyacene in terms of an extended Peierls-Hubbard Hamiltonian with particular emphasis on its structural instability of two types: double bonds in a "cis" pattern and those in a "trans" pattern. Calculating the polarized optical conductivity spectra within and beyond the Hartree-Fock scheme, we reveal a striking contrast between the "cis" and "trans" configurations. The two Peierls-distorted states are almost degenerate in their energetics but quite distinct in their optics.

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