Effective one-band models for the 1D cuprate Ba_2-xSr_xCuO_3+δ
arXiv (Cornell University)(2023)
摘要
We consider a multiband Hubbard model H_m for Cu and O orbitals in
Ba_2-xSr_xCuO_3+δ similar to the tree-band model for
two-dimensional (2D) cuprates. The hopping parameters are obtained from
maximally localized Wannier functions derived from ab initio
calculations. Using the cell perturbation method, we derive both a generalized
t-J model H_tJ and a one-band Hubbard model H_H to describe the
low-energy physics of the system. H_tJ has the advantage of having a
smaller relevant Hilbert space, facilitating numerical calculations, while
additional terms should be included in H_H to accurately describe the
multi-band physics of H_m. Using H_tJ and DMRG, we calculate the
wave-vector resolved photoemission and discuss the relevant features in
comparison with recent experiments. In agreement with previous calculations, we
find that the addition of an attractive nearest-neighbor interaction of the
order of the nearest-neighbor hopping shifts weight from the 3 k_F to the
holon-folding branch. Kinetic effects also contribute to this process.
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关键词
1d,ba$_{2-x}$sr$_x$cuo$_{3+\delta}$,one-band
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