期刊
PHYSICAL REVIEW B
卷 83, 期 16, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.161105
关键词
-
资金
- EU [NMP3-CT2005-515767]
A broad low-frequency Raman band is observed in the proximity of the temperature-induced neutral-ionic phase transition (NIT) of a mixed-stack charge-transfer crystal, 4,4'-dimethyltetrathiafulvalene-chloranil (DMTTF-CA). Adopting a modified Hubbard model with coupling to lattice phonons and molecular vibrations, we propose a time-correlation-function approach to the calculation of the Raman and infrared spectra of these quasi-one-dimensional systems. The approach provides a unifying picture for several puzzling features observed in vibrational spectra across the NIT, and ascribes the anomalous intensity of the Raman band to the divergent polarizability of the electronic system.
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