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1.
J Phys Condens Matter ; 35(24)2023 Mar 29.
Artigo em Inglês | MEDLINE | ID: mdl-36944247

RESUMO

We use the cumulant Green's functions method (CGFM) to study the single-band Hubbard model. The starting point of the method is to diagonalize a cluster ('seed') containingNcorrelated sites and employ the cumulants calculated from the cluster solution to obtain the full Green's functions for the lattice. All calculations are done directly; no variational or self-consistent process is needed. We benchmark the one-dimensional results for the gap, the double occupancy, and the ground-state energy as functions of the electronic correlation at half-filling and the occupation numbers as functions of the chemical potential obtained from the CGFM against the corresponding results of the thermodynamic Bethe ansatz and the quantum transfer matrix methods. The particle-hole symmetry of the density of states is fulfilled, and the gap, occupation numbers, and ground-state energy tend systematically to the known results as the cluster size increases. We include a straightforward application of the CGFM to simulate the singles occupation of an optical lattice experiment with lithium-6 atoms in an eight-site Fermi-Hubbard chain near half-filling. The method can be applied to any parameter space for one, two, or three-dimensional Hubbard Hamiltonians and extended to other strongly correlated models, like the Anderson Hamiltonian, thet - J, Kondo, and Coqblin-Schrieffer models.

2.
J Phys Condens Matter ; 29(34): 345601, 2017 Aug 31.
Artigo em Inglês | MEDLINE | ID: mdl-28607220

RESUMO

In this article we investigate the effects of short-range anti-ferromagnetic correlations on the gap opening of topological Kondo insulators. We add a Heisenberg term to the periodic Anderson model at the limit of strong correlations in order to allow a small degree of hopping of the localized electrons between neighboring sites of the lattice. This new model is adequate for studying topological Kondo insulators, whose paradigmatic material is the compound [Formula: see text]. The main finding of the article is that the short-range antiferromagnetic correlations, present in some Kondo insulators, contribute decisively to the opening of the Kondo gap in their density of states. These correlations are produced by the interaction between moments on the neighboring sites of the lattice. For simplicity, we solve the problem on a two dimensional square lattice. The starting point of the model is the [Formula: see text] ions orbitals, with [Formula: see text] multiplet in the presence of spin-orbit coupling. We present results for the Kondo and for the antiferromagnetic correlation functions. We calculate the phase diagram of the model, and as we vary the [Formula: see text] level position from the empty regime to the Kondo regime, the system develops metallic and topological Kondo insulator phases. The band structure calculated shows that the model describes a strong topological insulator.

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