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arXiv:1912.07631 · Physical review. B./Physical review. B

Slave-boson analysis of the two-dimensional Hubbard model

David Riegler, Michael Klett, Titus Neupert, Ronny Thomale, P. Wölfle

Published Jun 15, 2020• 25 citations
arXivHTMLPDF

Abstract

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 $\mathbf{Q}=(Q,Q)$ 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 $(Q,Q)$ 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.

DOI
10.1103/physrevb.101.235137

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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 Q=(\ensuremathπ,\ensuremathπ)\mathbf{Q}=(\ensuremath{\pi},\ensuremath{\pi})Q=(\ensuremathπ,\ensuremathπ), (0,\ensuremathπ)(0,\ensuremath{\pi})(0,\ensuremathπ), and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q)\mathbf{Q}=(Q,Q)Q=(Q,Q) and (Q,\ensuremathπ)(Q,\ensuremath{\pi})(Q,\ensuremathπ) 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,\ensuremathπ)(Q,\ensuremath{\pi})(Q,\ensuremathπ) 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 present a comprehensive study of the 2D 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 Q=(π,π),(0,π), and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q), and (Q,π) 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) and (Q,π) 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.
We use the Kotliar-Ruckenstein slave boson formalism to study the phase diagram of the doped antiferromagnetic Mott insulator at zero and finite temperatures. We obtain the commensurate magnetic phase diagram as a function of doping and temperature. At higher doping and temperatures we find a paramagnetic metallic phase. Reducing doping and temperature, we find antiferromagnetic phases with both metallic and insulating solutions. We calculate the electronic density of states in various regions of the phase diagram. We use our results for the electronic compressibility and magnetic susceptibility to analyze the stability of the various phases obtained within this mean field formalism. We find various parameter regimes where the method fails to provide physical solutions. We argue that those regions correspond to more exotic phases that cannot be described within the current mean field theory.
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.
The slave-boson mean-field method is used to study the two-dimensional Hubbard model. A magnetic phase diagram allowing for paramagnetism, weak and strong ferromagnetism and antiferromagnetism is constructed and compared to the corresponding phase diagram using the Hartree-Fock approximation (HFA). Magnetically ordered regions are reduced by a factor of about three along both the t/U and density axes compared to the HFA. Using the spin-rotation-invariant formulation of the slave-boson method the helicity modulus is computed and for half filling is found practically to coincide with that found using variational Monte Carlo calculations with the Gutzwiller wave function. Off half filling the results can be used to compare with quantum Monte Carlo calculations of the effective hopping parameter. Contrary to the case of half filling, the slave-boson approach is seen to greatly improve the results of the HFA when off half filling.
We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight ZZZ and identify the temperature at which it decreases significantly to a crossover to a bad metal region. Near the Mott metal-insulator transition, this coherence temperature Tcoh{T}_{\mathrm{coh}}Tcoh​ is much lower than the Fermi temperature of the uncorrelated Fermi gas, as is observed in a broad range of strongly correlated electron materials. After a proper rescaling of temperature and interaction, we find a universal behavior that is independent of the band structure of the system. We obtain the temperature-interaction phase diagram as function of doping, and we compare the temperature dependence of the double occupancy, entropy, and charge compressibility with previous results obtained with dynamical mean-field theory. We analyze the stability of the method by calculating the charge compressibility.