Variation of Excitation Spectra in Mixed-Stack Charge-Transfer Complexes

Abstract

Local excitation spectra in different spin and charge channels are calculated in the one-dimensional extended Hubbard model with alternating energy levels at half filling for mixed-stack charge-transfer complexes. Near the boundary between the neutral and ionic phases, the electronic system is easily distorted by an additional term that reduces the symmetry and opens a gap. Alternating transfer integrals produce a nonmagnetic spin-Peierls phase; while staggered magnetic fields produce an antiferromagnetic phase. Both of them enhance the ionicity when they are introduced into the neutral phase near the boundary. Accordingly, these additional terms enhance low-energy spin excitations, although these excitations are suppressed when compared with those in the regular ionic phase. The regular ionic phase has a larger spectral weight in the local current channel than the neutral phase. This would imply that, in one dimension and if the lattice effect is negligible, the ionic phase has smaller activation energy in the electric conductivity near the boundary than the neutral phase.