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physica status solidi (b)

Mott transition in the Hubbard model on the triangular lattice

Takuya Yoshioka, Akihisa Koga, Norio Kawakami

Published Feb 17, 2010• 2 citations
Publisher

Abstract

Abstract We investigate a metal–insulator Mott transition in the half‐filled Hubbard model on the triangular lattice. In this study, we make use of the path‐integral renormalization group method with an iteration and truncation scheme proposed recently, which allows us to access the competing ground states around the transition point. We find for a cluster with 36 sites that as the Hubbard interaction U increases, the paramagnetic metallic (PM) state undergoes a metal–insulator phase transition to a nonmagnetic insulating (NMI) state at $U_{\rm c} \sim 7.4t$ , where t is the transfer integral. A detailed analysis around the transition point shows that the Mott transition is of first order.

DOI
10.1002/pssb.200983020

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Journal of Physics Condensed Matter•Oct 30, 2009•4 citations
Abstract We investigate a metal–insulator Mott transition in the half‐filled Hubbard model on the triangular lattice. In this study, we make use of the path‐integral renormalization group method with an iteration and truncation scheme proposed recently, which allows us to access the competing ground states around the transition point. We find for a cluster with 36 sites that as the Hubbard interaction U increases, the paramagnetic metallic (PM) state undergoes a metal–insulator phase transition to a nonmagnetic insulating (NMI) state at Uc∼7.4tU_{\rm c} \sim 7.4tUc​∼7.4t , where t is the transfer integral. A detailed analysis around the transition point shows that the Mott transition is of first order.
We investigate the quantum phase transitions in the half-filled Hubbard model on the triangular lattice by means of the path-integral renormalization group method with a new iteration and truncation scheme proposed recently. It is found for a cluster of 36 sites that as the Hubbard interaction U increases, the paramagnetic metallic state undergoes a first-order phase transition to a nonmagnetic insulating (NMI) state at Uc1 approximately 7.4t, which is followed by another first-order transition to a 120 degrees Néel ordered state at Uc2 approximately 9.2t, where t is the transfer integral. The size dependence of the results is also addressed. Our results suggest the existence of the intermediate NMI phase and resolve some controversial arguments on the nature of the previously proposed quantum phase transitions.
We investigate the quantum phase transitions in the half-filled Hubbard model on the triangular lattice by means of the path-integral renormalization group (PIRG) method with a new iteration scheme proposed recently. It is found that as the Hubbard interaction UUU increases, the paramagnetic metallic state undergoes a first-order phase transition to a nonmagnetic insulating (NMI) state at Uc1∼7.7tU_{c1}\sim 7.7tUc1​∼7.7t, which is followed by another first-order transition to a 120∘120^\circ120∘ Néel ordered state at Uc2∼10tU_{c2}\sim 10tUc2​∼10t, where ttt is the transfer integral. Our results ensure the existence of the intermediate NMI phase, and resolve some controversial arguments on the nature of the previously proposed quantum phase transitions. We find that κκκ-(BEDT-TTF)2_22​Cu2_22​(CN)3_33​ is located in the NMI phase close to the metal-insulator transition point.
We investigate the metal-insulator transition in the half-filled Hubbard model on the two-dimensional triangular lattice using both the Kotliar-Ruckenstein slave-boson technique and an exact numerical diagonalization of finite clusters. Contrary to the case of a square lattice, where a perfect nesting of the Fermi surface leads to a metal-insulator transition at arbitrarily small values of U, always accompanied by antiferromagnetic ordering, on a triangular lattice, due to the lack of perfect nesting, the transition takes place at a finite value of U, and frustration induces a nontrivial competition among different magnetic phases. Indeed, within the mean-field approximation in the slave-boson approach, as the interaction grows the paramagnetic metal turns into a metallic phase with incommensurate spiral ordering. Increasing the interaction further, a linear spin-density wave is stabilized, and finally for strong coupling the latter phase undergoes a first-order transition toward an antiferromagnetic insulator. No trace of the intermediate phases is seen in the exact diagonalization results, indicating a transition between a paramagnetic metal and an antiferromagnetic insulator.
The Mott transition is observed experimentally in materials that are magnetically frustrated so that long-range order does not hide the Mott transition at finite temperature. The Hubbard model on the triangular lattice at half filling is a paradigmatic model to study the interplay of interactions and frustration on the normal-state phase diagram. We use the dynamical cluster approximation with continuous-time auxiliary-field quantum Monte Carlo to solve this model for 1-, 4-, 6-, 12-, and 16-site clusters with detailed analysis performed for the 6-site cluster. We show that (a) for every cluster there is an inflection point in the double occupancy as a function of interaction, defining a Widom line that extends above the critical point of the first-order Mott transition; (b) the presence of this line and the cluster size dependence argue for the observability of the Mott transition at finite temperature in the thermodynamic limit; and (c) the loss of spectral weight in the metal-to-Mott-insulator transition as a function of temperature and for strong interactions is momentum dependent, the hallmark of a pseudogap. That pseudogap spans a large region of the phase diagram near the Mott transition.
We investigate the bandwidth-controlled Mott transition in the Hubbard model on the checkerboard lattice at half filling using the path-integral renormalization group (PIRG) method. It is demonstrated that the system undergoes a first-order phase transition to the plaquette-singlet insulating phase at a finite Hubbard interaction. This conclusion is drawn via a detailed analysis of the spin and charge correlations around the phase transition point by means of the PIRG method aided with a new iteration scheme introduced in this paper.
In this paper, we have investigated the metal-insulator transition (MIT) in a two-dimensional half-filled extended Hubbard model on an isotropic triangular lattice with a real space block renormalization group technique. It has been found that the MIT can be driven nontrivially by either the on-site interaction U or the nearest-neighbor one V, but with different critical exponents. Depending upon the values of V, the system could have one, two or three MIT critical points. Moreover, for the metallic regime, we have also studied the competition effect from the spin density wave and charge density wave phases by using a mean-field theory based upon Hartree-Fock approximations. Finally, the single-site entanglement is also calculated and its first derivative with respect to U shows a jump along the critical line of the MIT.