Effects of boundary conditions on the stability of one-dimensional Peierls-Hubbard systems
Shi-Jie Xie; Jian-Hua Wei; Liang-Mo Mei; Sheng-Hao Han; Shu-Shen Lai
Журнал:
Journal of Physics: Condensed Matter
Дата:
1998-03-16
Аннотация:
Several boundary conditions have been proposed to stabilize the dimerized structures of finite-length Peierls-Hubbard chains. The effects of different boundary conditions on the lattice structures and the electronic energy spectra have been analysed. It was found that the natural or the fixed-end boundary conditions are more suitable to describe polymer chains with very short lengths than the periodic boundary condition. The competition of electron-electron interactions with electron-phonon interactions in finite-length chains has also been studied.
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