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arXiv:1211.5093 · Physical Review B

Competing phases of the Hubbard model on a triangular lattice: Insights from the entropy

Gang Li, Andrey E. Antipov, Alexey N. Rubtsov, Stefan Kirchner, Werner R. Hanke

Published Apr 29, 2014• 46 citations
arXivHTMLPDF

Abstract

In this Rapid Communication, we present a comprehensive study of the Hubbard model on the isotropic triangular lattice by using the recently developed ladder dual-fermion approach. This method is a nonlocal extension of the dynamical mean-field theory and is free of finite-size effect. In addition to confirming the much-discussed phase diagram at half-filling, our work provides insights into both hole- and electron-doped regimes and, in particular, the finite-temperature phase diagrams. We find the triangular system to be short-range correlated with an associated magnetic phase diagram, which is asymmetric with respect to hole and electron doping. In contrast to the unfrustrated lattice, it can adiabatically be cooled by increasing the interactions. Strikingly, at the electron-doped side, the entropy displays a maximum. This latter example, as well as other results of our work, may provide insights for a variety of correlated triangular materials, such as the water-intercalated sodium-doped cobaltates.

DOI
10.1103/physrevb.89.161118

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In this Rapid Communication, we present a comprehensive study of the Hubbard model on the isotropic triangular lattice by using the recently developed ladder dual-fermion approach. This method is a nonlocal extension of the dynamical mean-field theory and is free of finite-size effect. In addition to confirming the much-discussed phase diagram at half-filling, our work provides insights into both hole- and electron-doped regimes and, in particular, the finite-temperature phase diagrams. We find the triangular system to be short-range correlated with an associated magnetic phase diagram, which is asymmetric with respect to hole and electron doping. In contrast to the unfrustrated lattice, it can adiabatically be cooled by increasing the interactions. Strikingly, at the electron-doped side, the entropy displays a maximum. This latter example, as well as other results of our work, may provide insights for a variety of correlated triangular materials, such as the water-intercalated sodium-doped cobaltates.
High-temperature bad-metal transport has been recently studied both theoretically and in experiments as one of the key signatures of strong electronic correlations. Here we use the dynamical mean field theory and its cluster extensions, as well as the finite-temperature Lanczos method to explore the influence of lattice frustration on the thermodynamic and transport properties of the Hubbard model at high temperatures. We consider the triangular and the square lattices at half-filling and at 15% hole doping. We find that for $T\ensuremath{\gtrsim}1.5t$ the self-energy becomes practically local, while the finite-size effects become small at lattice size $4\ifmmode\times\else\texttimes\fi{}4$ for both lattice types and doping levels. The vertex corrections to optical conductivity, which are significant on the square lattice even at high temperatures, contribute less on the triangular lattice. We find approximately linear temperature dependence of dc resistivity in doped Mott insulator for both types of lattices.
We study kinetic magnetism for the Fermi-Hubbard models in triangular type lattices, including a zigzag ladder, four- and six-legged triangular cylinders and a full two-dimensional triangular lattice. We focus on the regime of strong interactions, U≫tU\gg tU≫t and filling factors around one electron per site. For temperatures well above the hopping strength, the Curie-Weiss form of the magnetic susceptibility suggests effective antiferromagnetic correlations for systems that are hole doped with respect to ν=1ν=1ν=1, and ferromagnetic correlations for systems with electron dopings. We show that these correlations arise from magnetic polaron dressing of charge carrier propagating in a spin incoherent Mott insulator. Effective interactions corresponding to these correlations can strongly exceed the magnetic super-exchange energy. In the case of hole doping, antiferromagnetic polarons originate from kinetic frustration of individual holes in a triangular lattice. In the case of electron doping, Nagaoka type ferromagnetic correlations are induced by propagating doublons. These results provide a theoretical explanation of recent experimental results in moire TMDC materials. To understand many-body states arising from antiferromagentic polarons at low temperatures, we study hole doped systems in finite magnetic fields. At low dopings and intermediate magnetic fields we find a magnetic polaron phase, separated from the fully polarized state by a metamagnetic transition. With decreasing magnetic field the system shows a tendency to phase separate, with hole rich regions forming antiferromagnetic spinbags. We demonstrate that direct observations of magnetic polarons in triangular lattices can be achieved in experiments with ultracold atoms, which allow measurements of three point hole-spin-spin correlations.
Recently, triangular lattice models have received a lot of attention since they can describe a number of strongly-correlated materials that exhibit superconductivity and various magnetic and charge orders. In this research we present an extensive analysis of the charge-ordering phenomenon of the triangular-lattice extended Hubbard model with repulsive onsite and nearest-neighbor interaction, arbitrary charge concentration, and 3×3\sqrt{3}\times\sqrt{3}3​×3​ supercell (3-sublattice assumption). The model is solved in the ground state with the mean-field approximation which allowed to identify 888 charge-ordered phases and a large variety of phase transitions. An exotic pinball-liquid phase was found and described. Moreover, strong particle-hole asymmetry of the phase diagram is found to play an important role for triangular lattices. The detailed analysis of band structures, unavailable for more advanced methods, such as dynamical mean-field theory, allowed us to interpret the found triangular-lattice phases and provided a great insight into the mechanisms behind the phase transitions that can also be met when correlation effects are taken into account. The complexity of the mean-field phase diagram showed the importance and usefulness of the results for the further research with correlation effects included. Together with atomic-limit approximation it can serve them as both a starting point, and a tool to interpret results.
We establish the phase diagram of the Hubbard model on a cubic lattice for a wide range of temperatures, dopings, and interaction strengths, considering both commensurate and incommensurate magnetic orders. We use the dynamical mean-field theory together with an efficient method to compute the free energy which enable the determination of the correct ordering vectors. Besides an antiferromagnetic state close to half filling, we identify a number of different magnetic spiral phases with ordering vectors (q,π,π), (q,q,π), and (q,q,q), as well as a region with close competition between them, hinting at spatial phase separation or at the onset of a stripe phase. Additionally, we extensively study several thermodynamic properties with direct relevance to cold-atom experiments: the entropy, energy, and double occupancy.
We revisit the unrestricted Hartree Fock study on the evolution of the ground state of the Hubbard model on the triangular lattice with hole doping. At half-filling, it is known that the ground state of the Hubbard model on triangular lattice develops a 120 degree coplanar order at half-filling in the strong interaction limit, i.e., in the spin 1/2 anti-ferromagnetic Heisenberg model on the triangular lattice. The ground state property in the doped case is still in controversy even though extensive studies were performed in the past. Within Hartree Fock theory, we find that the 120 degree order persists from zero doping to about 0.3 hole doping. At 1/3 hole doping, a three-sublattice collinear order emerges in which the doped hole is concentrated on one of the three sublattices with antiferromagnetic Neel order on the remaining two sublattices, which forms a honeycomb lattice. Between the 120 degree order and 1/3 doping region, a phase separation occurs in which the 120 degree order coexists with the collinear anti-ferromagnetic order in different regions of the system. The collinear phase extends from 1/3 doping to about 0.41 doping, beyond which the ground state is paramagnetic with uniform electron density. The phase diagram from Hartree Fock could provide guidance for the future study of the doped Hubbard model on triangular lattice with more sophisticated many-body approaches.
We explore the two-dimensional extended Hubbard model on the triangular lattice in the high doping regime. On-site and nearest-neighbour repulsive interactions are treated in a non-perturbative way by means of Extended Dynamical Mean Field Theory. We compute the low-temperature phase diagram, displaying a metallic phase and a symmetry-broken phase for strong intersite repulsions. We describe the correlation effects on both single-particle and two-particle observables in the metallic phase. Whereas single-particle spectra feature a Hubbard satellite typical of strongly correlated systems, local susceptibilities remain close to their non-interacting limit, even for large on-site repulsions. We argue that this behaviour is typical of the strongly doped case. We also report a region in parameter space with negative static local screening.