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Register a new userLocal moments versus itinerant antiferromagnetism: magnetic phase diagram and spectral properties of the anisotropic square lattice Hubbard model
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Using a cluster extension of the dynamical mean-field theory (CDMFT) we map out the magnetic phase diagram of the anisotropic square lattice Hubbard model with nearest-neighbor intrachain $t$ and interchain $t_{perp}$ hopping amplitudes at half-filling. A fixed value of the next-nearest-neighbor hopping $t=-t_{perp}/2$ removes the nesting property of the Fermi surface and stabilizes a paramagnetic metal phase in the weak-coupling regime. In the isotropic and moderately anisotropic regions, a growing spin entropy in the metal phase is quenched out at a critical interaction strength by the onset of long-range antiferromagnetic (AF) order of preformed local moments. It gives rise to a first-order metal-insulator transition consistent with the Mott-Heisenberg picture. In contrast, a strongly anisotropic regime $t_{perp}/tlesssim 0.3$ displays a quantum critical behavior related to the continuous transition between an AF metal phase and the AF insulator. Hence, within the present framework of CDMFT, the opening of the charge gap is magnetically driven as advocated in the Slater picture. We also discuss how the lattice-anisotropy-induced evolution of the electronic structure on a metallic side of the phase diagram is tied to the emergence of quantum criticality.
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The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Neel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in detail below and above the Mott transition point. The spectral structure of the self-energy is almost featureless in the metallic phase, but clear single dispersion, leading to the Mott gap, appears in the Mott insulator phase.
We employ the cluster slave-spin method to investigate systematically the ground state properties of the Hubbard model on a square lattice with doping $delta$ and coupling strength $U$ being its parameters. In addition to a crossover reflected in the behavior of the antiferromagnetic gap $Delta_{text{AFM}}$, this property can also be observed in the energetics of the cluster slave-spin Hamiltonian -- the antiferromagnetism at small $U$ is due to the potential energy gain while that in the strong coupling limit is driven by the kinetic energy gain, which is consistent with the results from the cluster dynamical mean-field theory calculation and the quantum Monte Carlo simulation. We find the interaction $U_{c}$ for the crossover in the AFM state, separating the weak- and strong- coupling regimes, almost remains unchanged upon doping, and it is smaller than the critical coupling strength $U_{text{Mott}}$ for the first-order metal-insulator Mott transition in the half-filled paramagnetic state. At half-filling, a relationship between the staggered magnetization $M$ and $Delta_{text{AFM}}$ is established in the small $U$ limit to nullify the Hartree-Fock theory, and a first-order Mott transition in the paramagnetic state is substantiated, which is characterized by discontinuities and hystereses at $U_{text{Mott}}=10t$. Finally, an overall phase diagram in the $U$-$delta$ plane is presented, which is composed of four regimes: the antiferromagnetic insulator, the antiferromagnetic metal with the compressibility $kappa>0$ or $kappa<0$, and the paramagnetic metal, as well as three phase transitions: (i) From the antiferromagnetic metal to the paramagnetic metal, (ii) between the antiferromagnetic metal phases with positive and negative $kappa$, and (iii) separating the antiferromagnetic insulating phase from the antiferromagnetic metal phase.
We study the half-filled Hubbard model on the triangular lattice with spin-dependent Kitaev-like hopping. Using the variational cluster approach, we identify five phases: a metallic phase, a non-coplanar chiral magnetic order, a $120^circ$ magnetic order, a nonmagnetic insulator (NMI), and an interacting Chern insulator (CI) with a nonzero Chern number. The transition from CI to NMI is characterized by the change of the charge gap from an indirect band gap to a direct Mott gap. Based on the slave-rotor mean-field theory, the NMI phase is further suggested to be a gapless Mott insulator with a spinon Fermi surface or a fractionalized CI with nontrivial spinon topology, depending on the strength of Kitaev-like hopping. Our work highlights the rising field that interesting phases emerge from the interplay of band topology and Mott physics.
The interplay between the Kondo effect and magnetic ordering driven by the Ruderman-Kittel-Kasuya-Yosida interaction is studied within the two-dimensional Hubbard-Kondo lattice model. In addition to the antiferromagnetic exchange interaction, $J_perp$, between the localized and the conduction electrons, this model also contains the local repulsion, $U$, between the conduction electrons. We use variational cluster approximation to investigate the competition between the antiferromagnetic phase, the Kondo singlet phase, and a ferrimagnetic phase on square lattice. At half-filling, the Neel antiferromagnetic phase dominates from small to moderate $J_perp$ and $UJ_perp$, and the Kondo singlet elsewhere. Sufficiently away from half-filling, the antiferromagnetic phase first gives way to a ferrimagnetic phase (in which the localized spins order ferromagnetically, and the conduction electrons do likewise, but the two mutually align antiferromagnetically), and then to the Kondo singlet phase.
The finite-temperature phase diagram of the Hubbard model in $d=3$ is obtained from renormalization-group analysis. It exhibits, around half filling, an antiferromagnetic phase and, between 30%--40% electron or hole doping from half filling, a new $tau $ phase in which the electron hopping strength $t$ asymptotically becomes infinite under repeated rescalings. Next to the $tau $ phase, a first-order phase boundary with very narrow phase separation (less than 2% jump in electron density) occurs. At temperatures above the $tau $ phase, an incommensurate spin modulation phase is indicated. In $d=2$, we find that the Hubbard model has no phase transition at finite temperature.
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