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Register a new userDual-Fermion approach to Non-equilibrium strongly correlated problems
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Added by
A.lexander Lichtenstein
Publication date
2010
fields
Physics
and research's language is
English
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We present a generalization of the recently developed dual fermion approach introduced for correlated lattices to non-equilibrium problems. In its local limit, the approach has been used to devise an efficient impurity solver, the superperturbation solver for the Anderson impurity model (AIM). Here we show that the general dual perturbation theory can be formulated on the Keldysh contour. Starting from a reference Hamiltonian system, in which the time-dependent solution is found by exact diagonalization, we make a dual perturbation expansion in order to account for the relaxation effects from the fermionic bath. Simple test results for closed as well as open quantum systems in a fermionic bath are presented.
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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 formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii-Moriya coupling, but is not due to spin-orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well.
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.
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.
We apply the recently developed dual fermion algorithm for disordered interacting systems to the Anderson-Hubbard model. This algorithm is compared with dynamical cluster approximation calculations for a one-dimensional system to establish the quality of the approximation in comparison with an established cluster method. We continue with a three-dimensional (3d) system and look at the antiferromagnetic, Mott and Anderson localization transitions. The dual fermion approach leads to quantitative as well as qualitative improvement of the dynamical mean-field results and it allows one to calculate the hysteresis in the double occupancy in 3d taking into account nonlocal correlations.
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