Abstract

The Bogoliubov-de Gennes formalism is used to study the localized excitations within the extended Peierls-Hubbard model describing quasi-one-dimensional systems like MX-chains. The phase diagram is studied as a function of Coulomb interaction U and on-site electron-phonon coupling λ 2. There is no coexistence of homogeneous SDW and CDW states at the mean field level. However, the self-trapped excitons (STE) in the CDW dominating regime contain locally non-vanishing SDW distortions and vice versa. As λ 2 increases, the number of bound states changes from two to four for the exciton case and from two to three for the polaron case. Upon further increase, one type of STE with a certain pattern of SDW distortion and charge transfer is transforming into another type of STE with a different pattern.

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