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Physical review. B, Condensed matter

Electronic and magnetic features of twisted spin-density-wave states in the two-dimensional Hubbard model

Sajeev John, Puru Voruganti, William E. Goff

Published Jun 1, 1991• 23 citations
Publisher

Abstract

Using a path-integral formalism and decomposing the Hubbard interaction into charge and spin order parameters, we develop a 1/S loop expansion of the two-dimensional Hubbard model. At the saddle-point level, we present a detailed study of the energetics of twisted antiferromagnetic order. Doping the antiferromagnetic state leads to a rich mean-field phase diagram at zero temperature, which includes spiral phases, a column phase, and ferromagnetism. The on-site magnetization, the density of states, the plasma frequency, and the quasiparticle weights are evaluated for the twisted spin-density-wave (SDW) states as a function of doping and U/t. Doping-induced frustration remarkably leads to a closure of the Mott-Hubbard band gap for any U/t. At one-loop order, we delineate the collective spin and charge fluctuations of the mean-field SDW state. The action for the two transverse spin modes at half-filling maps to a nonlinear \ensuremath{\sigma} model, which tends to disorder upon doping. Twisted magnetic ground states exhibit a third Goldstone mode due to the complete breaking of rotational invariance. For the commensurate SDW, the charge fluctuations couple only to longitudinal spin fluctuations, whereas, for the incommensurate metallic SDW states, the charge modes are coupled nontrivially to the massless spin waves. This suggests a metallic state quite unlike traditional Fermi liquids.

DOI
10.1103/physrevb.43.13365

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Using a path-integral formalism and decomposing the Hubbard interaction into charge and spin order parameters, we develop a 1/S loop expansion of the two-dimensional Hubbard model. At the saddle-point level, we present a detailed study of the energetics of twisted antiferromagnetic order. Doping the antiferromagnetic state leads to a rich mean-field phase diagram at zero temperature, which includes spiral phases, a column phase, and ferromagnetism. The on-site magnetization, the density of states, the plasma frequency, and the quasiparticle weights are evaluated for the twisted spin-density-wave (SDW) states as a function of doping and U/t. Doping-induced frustration remarkably leads to a closure of the Mott-Hubbard band gap for any U/t. At one-loop order, we delineate the collective spin and charge fluctuations of the mean-field SDW state. The action for the two transverse spin modes at half-filling maps to a nonlinear \ensuremath{\sigma} model, which tends to disorder upon doping. Twisted magnetic ground states exhibit a third Goldstone mode due to the complete breaking of rotational invariance. For the commensurate SDW, the charge fluctuations couple only to longitudinal spin fluctuations, whereas, for the incommensurate metallic SDW states, the charge modes are coupled nontrivially to the massless spin waves. This suggests a metallic state quite unlike traditional Fermi liquids.
In a 1/S loop expansion of the two-dimensional Hubbard model, doping leads to incommensurate twist spin-density-wave (SDW) states at the saddle point. Further doping reduces the on-site magnetization and increases the SDW pitch, conspiring to close the effective Mott-Hubbard gap at \ensuremath{\delta}\ensuremath{\sim}0.07--0.30 for U/t\ensuremath{\sim}2.5--10. At the one-loop level, the two massless fluctuations map to the nonlinear \ensuremath{\sigma} model at zero doping while for the twist SDW states, three massless spin-wave modes arise which are strongly coupled to the charge fluctuations, therefore implying nontrivial charge-spin response functions for the metal.
Determining the properties of the two-dimensional Hubbard model is an outstanding problem in physics. Applying recent advances in constrained path auxiliary-field quantum Monte Carlo techniques and simulating large rectangular supercells, we characterize the magnetic and charge properties in the ground state as a function of doping. At intermediate interaction strengths, an incommensurate spin density wave (SDW) state is found, with antiferromagnetic order and essentially homogeneous charge correlation. The wavelength of the collective mode decreases with doping, as does its magnitude. The SDW order vanishes beyond a critical doping. As the interaction is increased, the holes go from a wavelike (delocalized) to a particlelike (localized) state, and charge ordering develops which eventually evolves into stripelike states.
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 present a variety of physical implications of a mean-field theory for spiral spin-density-wave states in the square-lattice Hubbard model for small deviations from half filling. The phase diagram with the paramagnetic metal, two spiral (semimetallic) states, and ferromagnet is calculated. The momentum distribution function and the (quasiparticle) density of states are discussed. There is a significant broadening of the quasiparticle bands when the antiferromagnetic insulator is doped. The evolution of the Fermi surface and the variation of the plasma frequency and a charge-stiffness constant with U/t and \ensuremath{\delta} are calculated. The connection to results based on the Schwinger-boson--slave-fermion formalism is made.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near 1/81/81/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about 1/51/51/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
The two-dimensional extended Hubbard model that includes a nearest-neighbor Heisenberg interaction is studied using a mean-field theory where quasiparticles are defined by an U(8) group of canonical transformations permitting both broken gauge, spin, and sublattice symmetry. The theory is further extended to incorporate a possible twist in the spin-quantization axis, so that the competition between superconductivity, charge density waves, and N\'eel and spiral antiferromagnetic order can be monitored within one single theory. Our results for positive Hubbard U and Heisenberg exchange J suggest that antiferromagnetic ordering dominates close to half-filling, while spiral states and d-wave superconductivity compete when doping is introduced. For moderate values of J, we find a phase diagram where a phase transition occurs from an antiferromagnet to a d-wave superconductor as doping is increased. A narrow region of (s+id)-wave superconductor is found for some values of J and U.