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arXiv:2006.09058 · Physical review. B./Physical review. B

Dynamical response and competing orders in two-band Hubbard model

A. Niyazi, Dominique Geffroy, J. Kuneš

Published Aug 31, 2020• 10 citations
arXivHTMLPDF

Abstract

We present a dynamical mean-field study of two-particle dynamical response functions in a two-band Hubbard model across several phase transitions. We observe that the transition between the excitonic condensate and spin-state ordered state is continuous with a narrow strip of supersolid phase separating the two. Approaching transition from the excitonic condensate is announced by softening of the excitonic mode at the $M$ point of the Brillouin zone. Inside the spin-state ordered phase there is a magnetically ordered state with $2\ifmmode\times\else\texttimes\fi{}2$ periodicity, which has no precursor in the normal phase.

DOI
10.1103/physrevb.102.085159

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We present a dynamical mean-field study of two-particle dynamical response functions in a two-band Hubbard model across several phase transitions. We observe that the transition between the excitonic condensate and spin-state ordered state is continuous with a narrow strip of supersolid phase separating the two. Approaching transition from the excitonic condensate is announced by softening of the excitonic mode at the MMM point of the Brillouin zone. Inside the spin-state ordered phase there is a magnetically ordered state with 2\ifmmode×\else\texttimes\fi22\ifmmode\times\else\texttimes\fi{}22\ifmmode×\else\texttimes\fi2 periodicity, which has no precursor in the normal phase.
Using the dynamical mean-field approximation we investigate the formation of excitonic condensate in the two-band Hubbard model in the vicinity of the spin-state transition. With temperature and band filling as the control parameters we realize all symmetry allowed spin-triplet excitonic phases, some exhibiting a ferromagnetic polarization. While the transitions are first order at low temperatures, at elevated temperatures continuous transitions are found that give rise to a multicritical point. Rapid but continuous transition between ferromagnetic and nonmagnetic excitonic phases allows switching of uniform magnetization by small changes of chemical potential.
We present a dynamical mean-field study of dynamical susceptibilities in two-band Hubbard model. Varying the model parameters we analyze the two-particle excitations in the normal as well as in the ordered phase, an excitonic condensate. The two-particle DMFT spectra in the ordered phase reveal the gapless Goldstone modes arising from spontaneous breaking of continuous symmetries. We also observe gapped Higgs mode, characterized by vanishing of the gap at the phase boundary. Qualitative changes observed in the spin susceptibility can be used as an experimental probe to identify the excitonic condensation.
We present a comprehensive study of the two-dimensional one-band Hubbard model applying the spin-rotation-invariant slave-boson method. We utilize a spiral magnetic mean field and fluctuations around a paramagnetic mean field to determine the magnetic phase diagram and find the two approaches to be in good agreement. Apart from the commensurate phases characterized by ordering wave vectors $\mathbf{Q}=(\ensuremath{\pi},\ensuremath{\pi})$, $(0,\ensuremath{\pi})$, and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q)\mathbf{Q}=(Q,Q)Q=(Q,Q) and $(Q,\ensuremath{\pi})$ vary continuously with filling, interaction strength, or temperature. The mean-field quantities magnetization and effective mass are found to change discontinuously at the phase boundaries separating the (Q,Q)(Q,Q)(Q,Q) and $(Q,\ensuremath{\pi})$ phases, indicating a first-order transition. The band structure and Fermi surface is shown in selected cases. The dynamic spin and charge susceptibilities as well as the structure factors are calculated and discussed, including the emergence of collective modes of the zero sound and Mott insulator type. The dynamical conductivity is calculated in dependence of doping, interaction strength, and temperature. Finally, a temperature-interaction strength phase diagram is established.
We study the two-dimensional one-band Hubbard model on the square lattice through the spin rotation invariant Kotliar-Ruckenstein slave-boson method, with an emphasis on the electron-doped regime. The phase diagram determined within mean field approximation reveals three different magnetically ordered phases separated by first-order transitions, and a wide instability region as indicated by a negative compressibility. We show that this conundrum of the unstable mean field domain is resolved by spatially mixed phases of neighboring stable states. We also find charge density wave type instabilities in the antiferromagnetically ordered (AFM) state at wave vectors commensurate with the doping. The corresponding charge and spin density response functions are calculated from a Gaussian fluctuations formalism about a magnetic saddle point, for which we provide a detailed derivation. Further, we present density and spin excitation spectra in the AFM phase, allowing for a quantitative calculation of the spin wave parameters, the gap in the longitudinal spin excitation spectrum, and the density excitations in the upper Hubbard band.
Motivated by the recent progress in realizing and controlling extended Bose-Hubbard systems using excitonic or atomic devices, the present Letter theoretically investigates the case of a two-band Bose-Hubbard chain with nearest-neighbor interactions. Specifically, this study concentrates on the scenario where, due to the interactions, one band supports a density-wave phase, i.e., a correlated insulating phase with spontaneous breaking of translational symmetry in the lattice, while the other band supports superfluid behavior. Using the density matrix renormalization group method, we show that supersolid order can emerge from such a combination, that is, an elusive quantum state that combines crystalline order with long-range phase coherence. Depending on the filling of the bands and the interband interaction strength, the supersolid phase competes with phase-separation, superfluid order, or Mott insulating density-wave order. As a possible setup to observe supersolidity, we propose the combination of a lower band supporting density-wave order and a thermally excited band that supports superfluidity due to weaker lattice confinement.
We study the Mott insulator--superfluid transition in a two-band boson Hubbard model, which can be mapped onto a spin-1∕21∕21∕2 XYXYXY model with spins coupled to an additional Ising degree of freedom. By using a modified mean field theory that includes the effects of phase fluctuations, we show that the transition is first order at both zero and finite temperatures. On the Mott insulator side, there may be reentrance in phase transition. These features are consequences of the underlying transition between competing defect poor and defect rich phases. The possible relevance of the model and our results to supersolid 4He^{4}\mathrm{He}4He and cold bosonic atoms in optical lattices are discussed.