Giant infrared intensity of the Peierls mode at the neutral-ionic phase transition

被引：46
|
作者：
Del Freo, L [1 ]
Painelli, A
Soos, ZG
机构：
[1] Univ Parma, Dipartimento Chim GIAF, INSTM UdR Parma, I-43100 Parma, Italy
[2] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
来源：
PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 02期
关键词：
D O I：
10.1103/PhysRevLett.89.027402
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We present exact diagonalization results on a modified Peierls-Hubbard model for the neutral-ionic phase transition. The ground state potential energy surface and the infrared intensity of the Peierls mode point to a strong, nonlinear electron-phonon coupling, with effects that are dominated by the proximity to the electronic instability rather than by electronic correlations. The huge infrared intensity of the Peierls mode at the ferroelectric transition is related to the temperature dependence of the dielectric constant of mixed-stack organic crystals.
引用
收藏
页码：274021 / 274024
页数：4
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