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Charge ordering in extended Hubbard models: Variational cluster approach

M. Aichhorn·H. G. Evertz·W. von der Linden·M. Potthoff
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Abstract

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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M. Aichhorn, H. G. Evertz, W. von der Linden, M. Potthoff. 2004-02-24. Charge ordering in extended Hubbard models: Variational cluster approach. https://doi.org/10.1103/physrevb.70.235107

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