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Journal of the Physical Society of Japan

Soliton Lattice Modulation of Incommensurate Spin Density Wave in Two Dimensional Hubbard Model -A Mean Field Study-

Masaru Kato, Kazushige Machida, Hiizu Nakanishi, Mitsutaka Fujita

Published Mar 15, 1990• 285 citations
Publisher

Abstract

Spatially modulated magnetic phases are investigated within the mean field theory for an itinerant electron model, i.e. the Hubbard model on a two-dimensional square lattice. By numerically diagonalizing the Hamiltonian for finite-size systems under a periodic boundary condition, we examine relative stability and physical properties of several possible magnetic states. When the electron fillings are nearly half-full, the diagonally or vertically modulated spin density wave (SDW) state is stabilized over the uniform antiferromagnetic state and a crossover from the vertical to the diagonal states appears. The diagonal or vertical stripe state is characterized by the presence of the midgap band due to the soliton lattice formation inside the main SDW gap, being an insulator. The wave length λ SDW is linearly proportional to the excess carrier concentration. Excess carriers are accommodated in the form of the soliton lattice, forming a charge density wave whose wave length is λ SDW /2.

DOI
10.1143/jpsj.59.1047

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Physical Review B•Aug 15, 2011•5 citations
Spatially modulated magnetic phases are investigated within the mean field theory for an itinerant electron model, i.e. the Hubbard model on a two-dimensional square lattice. By numerically diagonalizing the Hamiltonian for finite-size systems under a periodic boundary condition, we examine relative stability and physical properties of several possible magnetic states. When the electron fillings are nearly half-full, the diagonally or vertically modulated spin density wave (SDW) state is stabilized over the uniform antiferromagnetic state and a crossover from the vertical to the diagonal states appears. The diagonal or vertical stripe state is characterized by the presence of the midgap band due to the soliton lattice formation inside the main SDW gap, being an insulator. The wave length λ SDW is linearly proportional to the excess carrier concentration. Excess carriers are accommodated in the form of the soliton lattice, forming a charge density wave whose wave length is λ SDW /2.
We analyze spin density waves (SDWs) in the Hubbard model on a square lattice within the framework of inhomogeneous dynamical mean field theory (IDMFT). Doping the half-filled Hubbard model results in a change of the antiferromagnetic N\'eel state, which exists exactly at half filling, to a phase of incommensurate SDWs. Previous studies of this phase mainly rely on static mean field calculations. In this paper, we will use large-scale IDMFT calculations to study properties of SDWs in the Hubbard model. A great advantage of IDMFT over static mean field approaches is the inclusion of local screening effects and the easy access to dynamical correlation functions. Furthermore, this technique is not restricted to the Hubbard model, but can be easily used to study incommensurate phases in various strongly correlated materials.
For a wide range of electron filling we study the spin density wave states in the Hubbard model on a square lattice within a Hartree-Fock approximation. It is shown that the incommensurate helical spin density wave states appear for whole region of the electron filling and, especially, that the commensurate helical spin density wave state with wave vector (π, 0) is stable near the quarter-filling. We examine also the relative stability of the soliton and the vortex lattice states to the helical spin density wave states and obtain the results that near the half-filling case the soliton lattice states are stable states for intermediate interaction strength and that the vortex lattice states do not appear as the stable state, except one particular state with the wind-mill spin structure at the quarter-filling.
The square-lattice extended Hubbard model at half filling is studied by a perturbation scheme. By taking into account the ground state of the mean-field theory as a reference state, the scheme treats the collective fluctuations beyond the mean field as the predominant perturbation. The system at ground state can be a spin-density wave (SDW) or a charge-density wave (CDW) depending on the relative strengths of the on-site electron interaction and the nearest-neighbor interaction. The excitation modes above the ground state are analyzed through diagonalizing an effective Hamiltonian. The energy spectra and the wave functions are self-consistently given by the formalism. By comparing the ground-state energies, we investigate the SDW-CDW transition.
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.
Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experimental realization via cold atoms in an optical lattice. Analytical and numerical results are limited away from half-filling. We study the ground state of the doped system from weak to intermediate interaction strengths within the generalized Hartree-Fock approximation. The exact solution to the self-consistent-field equations in the thermodynamic limit is obtained and the ground state is shown to exhibit antiferromagnetic order and incommensurate spin-density waves (SDW). At low interaction strengths, the SDW has unidirectional character with a leading wavevector along the [100]-direction, and the system is metallic. As the interaction increases, the system undergoes a simultaneous structural and metal-to-insulator transition to a unidirectional SDW state along the [111]-direction, with a different wavelength. We systematically determine the real and momentum space properties of these states. The crossover from 3D to two dimensions (2D) is then studied by varying the inter-plane hopping amplitude, which can be experimentally realized by tuning the distance between a stack of square-lattice layers. Detailed comparisons are made between the exact numerical results and predictions from the pairing model, a variational ansatz based on the pairing of spins in the vicinity of the Fermi surface. Most of the numerical results can be understood quantitatively from the ansatz, which provides a simple picture for the nature of the SDW states.
We have used the density-matrix renormalization group method to study the ground-state properties of the symmetric periodic Anderson model in one dimension. We have considered lattices with up to Ns=50{N}_{s}=50Ns​=50 sites, and electron densities ranging from quarter to half filling. Through the calculation of energies, correlation functions, and their structure factors, together with careful extrapolations (toward ${N}_{s}\ensuremath{\rightarrow}\ensuremath{\infty}$), we were able to map out a phase diagram UvsnU\phantom{\rule{4pt}{0ex}}\mathrm{vs}\phantom{\rule{4pt}{0ex}}nUvsn, where UUU is the electronic repulsion on fff orbitals, and nnn is the electronic density, for a fixed value of the hybridization. At quarter filling, n=1n=1n=1, our data is consistent with a transition at ${U}_{{c}_{1}}\ensuremath{\simeq}2$, between a paramagnetic (PM) metal and a spin-density-wave (SDW) insulator; overall, the region $U\ensuremath{\lesssim}2$ corresponds to a PM metal for all n<2n<2n<2. For $1<n\ensuremath{\lesssim}1.5$ a ferromagnetic phase is present within a range of UUU, while for $1.5\ensuremath{\lesssim}n<2$, we find an incommensurate SDW phase; above a certain Uc(n){U}_{c}(n)Uc​(n), the system displays a Ruderman-Kittel-Kasuya-Yosida behavior, in which the magnetic wave vector is determined by the occupation of the conduction band. At half filling, the system is an insulating spin liquid, but with a crossover between weak and strong magnetic correlations.