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Register a new userThe dynamical vertex approximation for many-electron systems with spontaneously broken SU(2)-symmetry
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We generalize the formalism of the dynamical vertex approximation (D$Gamma$A) -- a diagrammatic extension of the dynamical mean-field theory (DMFT)-- to treat magnetically ordered phases. To this aim, we start by concisely illustrating the many-electron formalism for performing ladder resummations of Feynman diagrams in systems with broken SU(2)-symmetry, associated to ferromagnetic (FM) or antiferromagnetic (AF) order. We then analyze the algorithmic simplifications introduced by taking the local approximation of the two-particle irreducible vertex functions in the Bethe-Salpeter equations, which defines the ladder implementation of D$Gamma$A for magnetic systems. The relation of this assumption with the DMFT limit of large coordination-number/ high-dimensions is explicitly discussed. As a last step, we derive the expression for the ladder D$Gamma$A self-energy in the FM- and AF-ordered phases of the Hubbard model. The physics emerging in the AF-ordered case is explicitly illustrated by means of approximated calculations based on a static mean-field input for the D$Gamma$A equations. The results obtained capture fundamental aspects of both metallic and insulating ground states of two-dimensional antiferromagnets, providing a reliable compass for future, more extensive applications of our approach. Possible routes to further develop diagrammatic-based treatments of magnetic phases in correlated electron systems are briefly outlined in the conclusions.
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We propose an approach for the ab initio calculation of materials with strong electronic correlations which is based on all local (fully irreducible) vertex corrections beyond the bare Coulomb interaction. It includes the so-called GW and dynamical mean field theory and important non-local correlations beyond, with a computational effort estimated to be still manageable.
In a partially filled flat Bloch band electrons do not have a well defined Fermi surface and hence the low-energy theory is not a Fermi liquid. Neverethless, under the influence of an attractive interaction, a superconductor well described by the Bardeen-Cooper-Schrieffer (BCS) wave function can arise. Here we study the low-energy effective Hamiltonian of a generic Hubbard model with a flat band. We obtain an effective Hamiltonian for the flat band physics by eliminating higher lying bands via perturbative Schrieffer-Wolff transformation. At first order in the interaction energy we recover the usual procedure of projecting the interaction term onto the flat band Wannier functions. We show that the BCS wave function is the exact ground state of the projected interaction Hamiltonian and that the compressibility is diverging as a consequence of an emergent $SU(2)$ symmetry. This symmetry is broken by second order interband transitions resulting in a finite compressibility, which we illustrate for a one-dimensional ladder with two perfectly flat bands. These results motivate a further approximation leading to an effective ferromagnetic Heisenberg model. The gauge-invariant result for the superfluid weight of a flat band can be obtained from the ferromagnetic Heisenberg model only if the maximally localized Wannier functions in the Marzari-Vanderbilt sense are used. Finally, we prove an important inequality $D geq mathcal{W}^2$ between the Drude weight $D$ and the winding number $mathcal{W}$, which guarantees ballistic transport for topologically nontrivial flat bands in one dimension.
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