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Physical review. B, Condensed matter

Simulated-annealing method for fermion systems at finite temperature

Masaru Kato

Published Jun 1, 1995• 5 citations
Publisher

Abstract

We have developed a simulated-annealing method that is applicable for interacting fermion systems at finite temperature. We apply this method to the square Hubbard model of filling 0.8. From results of the simulation we find that the undulating-stripe spin-density wave (SDW) is most stable at low temperature. At increasing temperature, the stable state changes to stripe SDW, spiral SDW, N\'eel state, and paramagnetic state, successively.

DOI
10.1103/physrevb.51.16046

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We have developed a simulated-annealing method that is applicable for interacting fermion systems at finite temperature. We apply this method to the square Hubbard model of filling 0.8. From results of the simulation we find that the undulating-stripe spin-density wave (SDW) is most stable at low temperature. At increasing temperature, the stable state changes to stripe SDW, spiral SDW, N'eel state, and paramagnetic state, successively.
We study stripe orders of charge and spin density waves in the extended Hubbard model with the nearest-neighbor Coulomb repulsion V within the mean field approximation. We obtain V vs. T(temperature) phase diagram for the on-site Coulomb interaction U/t=8.0 and the filling n=0.8, here t is a nearest-neighbor transfer energy. Our result shows that the diagonal stripe spin density wave state (SDW) is stable for small V, but for large V the most stable state changes to a charge density wave-antiferromagnetic (CDW-AF) state. Especially we find at low temperature and for a certain range of value of V, a vertical stripe CDW-AF state becomes stable.
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.
We present a numerically exact study of the Hubbard model with spin-dependent anisotropic hopping on the square lattice using auxiliary-field quantum Monte Carlo method. At half filling, the system undergoes Ising phase transitions on cooling, leading to the formation of Ising-type antiferromagnetic order for repulsive interactions and charge-density wave order for attractive interactions at finite temperatures. By elegantly implementing the sign-problem-free condition and Hubbard-Stratonovich transformations, we achieve significant improvements in precision control of the numerical calculations and obtain highly accurate results of the transition temperatures from weak to strong interactions across representative anisotropies. We further characterize the system by examining the temperature dependence of various thermodynamic properties, including the energy, double occupancy, specific heat, and charge susceptibility. Specifically, we provide unbiased numerical results of the entropy map on temperature-interaction plane, the critical entropy, and the spin, singlon and doublon correlations, all of which are directly measurable in optical lattice experiments. Away from half filling, we explore the behavior of the sign problem and investigate the possible emergence of stripe spin-density wave order in the system with repulsive interaction.
Numerical simulations of strongly correlated fermions at finite temperature are essential for studying high-temperature superconductivity and other quantum many-body phenomena. The recently developed tangent-space tensor renormalization group (tanTRG) provides an efficient and accurate framework by representing thermal density operators as matrix product operators. However, the particle number generally varies during the cooling process. The conventional strategy of fine-tuning chemical potentials to reach a target filling is computationally demanding. Here we propose a fixed-NNN tanTRG algorithm that stabilizes the average particle number by adaptively tuning the chemical potential within the imaginary-time evolution. We benchmark its accuracy on exactly solvable free fermions, and further apply it to the square-lattice Hubbard model. For hole-doped cases, we study the temperature evolution of charge and spin correlations, identifying several characteristic temperature scales for stripe formation. Our results establish fixed-NNN tanTRG as an efficient and reliable tool for finite-temperature studies of correlated fermion systems.
We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor (t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH.