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Register a new userMean-field embedding of the dual fermion approach for correlated electron systems
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To reduce the rapidly growing computational cost of the dual fermion lattice calculation with increasing system size, we introduce two embedding schemes. One is the real fermion embedding, and the other is the dual fermion embedding. Our numerical tests show that the real fermion and dual fermion embedding approaches converge to essentially the same result. The application on the Anderson disorder and Hubbard models shows that these embedding algorithms converge more quickly with system size as compared to the conventional dual fermion method, for the calculation of both single-particle and two-particle quantities.
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We generalize the recently introduced dual fermion (DF) formalism for disordered fermion systems by including the effect of interactions. For an interacting disordered system the contributions to the full vertex function have to be separated into elastic and inelastic scattering processes, and addressed differently when constructing the DF diagrams. By applying our approach to the Anderson-Falicov-Kimball model and systematically restoring the nonlocal correlations in the DF lattice calculation, we show a significant improvement over the Dynamical Mean-Field Theory and the Coherent Potential Approximation for both one-particle and two-particle quantities.
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual fermion approach to disordered non-interacting systems using the replica method. Results for single- and two- particle quantities show good agreement with cluster extensions of the CPA; moreover, weak localization is captured. As a natural extension of the CPA, our method presents an alternative to the existing cluster theories. It can be used in various applications, including the study of disordered interacting systems, or for the description of non-local effects in electronic structure calculations.
We propose a cellular version of dynamical-mean field theory which gives a natural generalization of its original single-site construction and is formulated in different sets of variables. We show how non-orthogonality of the tight-binding basis sets enters the problem and prove that the resulting equations lead to manifestly causal self energies.
In this paper, we show how the two-particle Green function (2PGF) can be obtained within the framework of the Dual Fermion approach. This facilitates the calculation of the susceptibility in strongly correlated systems where long-ranged non-local correlations cannot be neglected. We formulate the Bethe-Salpeter equations for the full vertex in the particle-particle and particle-hole channels and introduce an approximation for practical calculations. The scheme is applied to the two-dimensional Hubbard model at half filling. The spin-spin susceptibility is found to strongly increase for the wavevector $vc{q}=(pi,pi)$, indicating the antiferromagnetic instability. We find a suppression of the critical temperature compared to the mean-field result due to the incorporation of the non-local spin-fluctuations.
We confirm the presence of a mean-field Bose glass in 2D quasicrystalline Bose-Hubbard models. We focus on two models where the aperiodic component is present in different parts of the problem. First, we consider a 2D generalisation of the Aubry-Andre model, where the lattice geometry is that of a square with a quasiperiodic onsite potential. Second, we consider the randomly disordered vertex model, which takes aperiodic tilings with non-crystalline rotational symmetries, and forms lattices from the vertices and lengths of the tiles. For the disordered vertex models, the mean-field Bose glass forms across large ranges of the chemical potential, and we observe no significant differences from the case of a square lattice with uniform random disorder. Small variations in the critical points in the presence of random disorder between quasicrystalline and crystalline lattice geometries can be accounted for by the varying coordination number and the different rotational symmetries present. In the 2D Aubry-Andre model, substantial differences are observed from the usual phase diagrams of crystalline disordered systems. We show that weak modulation lines can be predicted from the underlying potential and may stabilise or suppress the mean-field Bose glass in certain regimes. This results in a lobe-like structure for the mean-field Bose glass in the 2D Aubry-Andre model, which is significantly different from the case of random disorder. Together, the two quasicrystalline models studied in this work show that the mean-field Bose glass phase is present, as expected for 2D quasiperiodic models. However, a quasicrystalline geometry is not sufficient to result in differences from crystalline realisations of the Bose glass, whereas a quasiperiodic form of disorder can result in different physics, as we observe in the 2D Aubry-Andre model.
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