Franck-Condon factors as spectral probes of polaron structure

Citation
Dw. Brown et al., Franck-Condon factors as spectral probes of polaron structure, J PHYS CH A, 103(49), 1999, pp. 10417-10425
Citations number
37
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
49
Year of publication
1999
Pages
10417 - 10425
Database
ISI
SICI code
1089-5639(199912)103:49<10417:FFASPO>2.0.ZU;2-P
Abstract
We apply the Merrifield variational method, to the Holstein molecular cryst al model in D dimensions to compute nonadiabatic polaron band energies and Franck-Condon factors at general crystal momenta. We analyze these observab le properties to extract characteristic features related to polaron self-tr apping and potential experimental signatures. These results are combined wi th others obtained by the Global-Local variational method in 1D to construc t a polaron phase diagram encompassing all degrees of adiabaticity and all electron-phonon coupling strengths. The polaron phase diagram so constructe d includes disjoint regimes occupied by small polarons, large polarons, and a newly-defined class of compact polarons, all mutually separated by an in termediate regime occupied by transitional structures.