Local mode behaviour in quasi-1D CDW systems
H. Fehske, G. Wellein, H. B\"uttner, A. R. Bishop, and M. I. Salkola
TL;DR
This paper investigates the ground-state and spectral properties of a quasi-1D charge density wave system, revealing local lattice distortions and multi-phonon localization, and relates findings to experimental observations in MX chain complexes.
Contribution
It provides a numerical analysis of the Peierls-Hubbard model, identifying charge- and spin-ordered states and explaining experimental Raman spectra features.
Findings
Identification of charge- and spin-ordered states.
Observation of local lattice distortions and multi-phonon localization.
Reproduction of the red shift in resonance Raman spectrum.
Abstract
We analyze numerically the ground-state and spectral properties of the three-quarter filled Peierls-Hubbard Hamiltonian. Various charge- and spin-ordered states are identified. In the strong-coupling regime, we find clear signatures of local lattice distortions accompanied by intrinsic multi-phonon localization. The results are discussed in relation to recent experiments on MX chain [-PtCl-] complexes. In particular we are able to reproduce the observed red shift of the overtone resonance Raman spectrum.
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