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Journal of the Physical Society of Japan

Metal–Insulator Transition of the Hubbard Chain with Next-Nearest-Neighbor Hopping –Partially Ferromagnetic Metal toward Mott Insulator–

Hiroki Nakano, Yoshinori Takahashi

Published Apr 15, 2004• 9 citations
Publisher

Abstract

Metal–insulator transition in the ground state of the Hubbard chain with the next-nearest-neighbor hopping is studied by exact diagonalization method. This model shows the partially ferromagnetic metal near the Mott insulator for large Coulomb repulsion while the model reveals the non-magnetic metal for small but finite Coulomb repulsion. We find the transition between the partially ferromagnetic metal and the Mott insulator without phase separation. A new critical exponent of the diverging charge compressibility with respect to the hole density is observed when the system approaches the metal–Mott-insulator transition point from the side of the partially ferromagnetic metal. We also find the occurrence of the phase separation between partially ferromagnetic metal and the Mott insulator for even larger Coulomb repulsion. The model proposed here is interesting in view of the magnetism as well as the metal–insulator transition.

DOI
10.1143/jpsj.73.983

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Metal–insulator transition in the ground state of the Hubbard chain with the next-nearest-neighbor hopping is studied by exact diagonalization method. This model shows the partially ferromagnetic metal near the Mott insulator for large Coulomb repulsion while the model reveals the non-magnetic metal for small but finite Coulomb repulsion. We find the transition between the partially ferromagnetic metal and the Mott insulator without phase separation. A new critical exponent of the diverging charge compressibility with respect to the hole density is observed when the system approaches the metal–Mott-insulator transition point from the side of the partially ferromagnetic metal. We also find the occurrence of the phase separation between partially ferromagnetic metal and the Mott insulator for even larger Coulomb repulsion. The model proposed here is interesting in view of the magnetism as well as the metal–insulator transition.
We investigate the ground-state phase diagram of the half-filled one-dimensional Hubbard model with next-nearest-neighbor hopping using the density-matrix renormalization-group technique as well as an unrestricted Hartree-Fock approximation. We find commensurate and incommensurate disordered magnetic insulating phases and a spin-gapped metallic phase in addition to the one-dimensional Heisenberg phase. At large on-site Coulomb repulsion U, we make contact with the phase diagram of the frustrated Heisenberg chain, which has spin-gapped phases for sufficiently large frustration. For weak U, sufficiently large next-nearest-neighbor hopping t2{t}_{2}t2​ leads to a band structure with four Fermi points rather than two, producing a spin-gapped metallic phase. As U is increased in this regime, the system undergoes a Mott-Hubbard transition to a frustrated antiferromagnetic insulator.
We study the phase diagram of the one-dimensional Hubbard model with next-nearest-neighbor hopping using exact diagonalization, the density-matrix renormalization group, the Edwards variational ansatz, and an adaptation of weak-coupling calculations on the two-chain Hubbard model. We find that a substantial region of the strong-coupling phase diagram is ferromagnetic, and that three physically different limiting cases are connected in one ferromagnetic phase. At a point in the phase diagram at which there are two Fermi points at weak coupling, we study carefully the phase transition from the paramagnetic state to the fully polarized one as a function of the on-site Coulomb repulsion. We present evidence that the transition is second order and determine the critical exponents numerically. In this parameter regime, the system can be described as a Luttinger liquid at weak coupling. We extract the Luttinger-liquid parameters and show how their behavior differs from that of the nearest-neighbor Hubbard model. The general weak-coupling phase diagram can be mapped onto that of the two-chain Hubbard model. We exhibit explicitly the adapted phase diagram and determine its validity by numerically calculating spin and charge gaps using the density-matrix renormalization group.
A generalized Hubbard model with correlated hoppings is studied at half filling using exact diagonalization methods. For certain values of the hopping parameters our results for several static properties, the Drude weight and the single-particle spectra function, suggest the occurrence of a metal-insulator transition (MIT) at a finite value of the local Coulomb interaction Uc{\mathit{U}}_{\mathit{c}}Uc​. We identify the regions of the hopping parameters where the MIT is of the Mott type. In these regions, for large UUc{\mathit{U}}_{\mathit{c}}Uc​, we find a ferromagnetic ground state.
We study the one-dimensional Hubbard model with next-nearest-neighbor hopping by means of the numerical diagonalization for finite-size clusters. It is found that the ground state is evidently partially spin-polarized in a wide region of intermediate values of on-site Coulomb repulsion, which provides the first example as a minimal model without orbital degeneracy. Analysis of correlation functions makes it clear that the partially spin-polarized states form a spin polaron. Polaron's size grows with the increasing interaction.
Ferromagnetism in the one-dimensional Hubbard model with the next-nearest-neighbor hopping is explored by using the exact-diagonalization method in a small cluster and the equation-of-motion method in the thermodynamic limit with electron density n = 3/2. With these two complementary methods, it is found that an intermediate value of the next-nearest-neighbor hopping amplitude t1 tends to stabilize the fully polarized ferromagnetic state under the condition that the on-site coulomb interaction U is sufficiently large in our model. The ground-state phase diagram of the model is presented in the t1—U plane.
The linear-chain Hubbard model with nearest-neighbor hopping parameter ttt is reexpressed in terms of pseudospin operators according to the Jordan-Wigner transformation. The resulting spin model is then treated classically. It is found that for a half-filled band there is a phase transition in the ground state as a function of ttt. The electrical conductivity is calculated and shown to vanish discontinuously at the critical value of 4t=U4t = U4t=U (Coulomb repulsion). A Josephson-type relation is obtained between the difference in azimuthal angles of adjacent spins and the potential difference between sites. It is also shown that a local magnetic moment exists in the insulating state. For the non-half-filled band, it is shown that the ground state is ferromagnetic for 4t<U4t < U4t<U.