Charge ordering in extended Hubbard models: Variational cluster approach

Details Charge ordering in extended Hubbard models: Variational cluster approach Charge ordering in extended Hubbard models: Variational cluster approach

2004-02-24

arxiv.org/abs/cond-mat/0402580v1

PRB 70, 235107 (2004)

Physics

Condensed Matter

Strongly Correlated Electrons

15 pages, 12 figures

Scientific paper

10.1103/PhysRevB.70.235107

We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions U>=3t. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.

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