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arXiv:1704.01767 · Physical review. B./Physical review. B

Static spin susceptibility in magnetically ordered states

Kazuhiro Kuboki, Hiroyuki Yamase

Published Aug 7, 2017• 5 citations
arXivHTMLPDF

Abstract

We report that special care is needed when longitudinal magnetic susceptibility is computed in a magnetically ordered phase, especially in metals. We demonstrate this by studying static susceptibility in both a ferromagnetic and an antiferromagnetic state in the random phase approximation to the two-dimensional Hubbard model on a square lattice. In contrast to the case in the disordered phase, a first derivative of the chemical potential (or the density) with respect to a magnetic field does not vanish in a magnetically ordered phase when the field is applied parallel to the magnetic moment. This effect is crucial and should be included when computing magnetic susceptibility in the ordered phase, otherwise an unphysical result would be obtained. In addition, consequently the magnetic susceptibility becomes different when computed at a fixed density and a fixed chemical potential in the ordered phase. In particular, we cannot employ magnetic susceptibility at a fixed chemical potential to describe a system with a fixed density even if the chemical potential is tuned to reproduce the correct density.

DOI
10.1103/physrevb.96.064411

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We report that special care is needed when longitudinal magnetic susceptibility is computed in a magnetically ordered phase, especially in metals. We demonstrate this by studying static susceptibility in both a ferromagnetic and an antiferromagnetic state in the random phase approximation to the two-dimensional Hubbard model on a square lattice. In contrast to the case in the disordered phase, a first derivative of the chemical potential (or the density) with respect to a magnetic field does not vanish in a magnetically ordered phase when the field is applied parallel to the magnetic moment. This effect is crucial and should be included when computing magnetic susceptibility in the ordered phase, otherwise an unphysical result would be obtained. In addition, consequently the magnetic susceptibility becomes different when computed at a fixed density and a fixed chemical potential in the ordered phase. In particular, we cannot employ magnetic susceptibility at a fixed chemical potential to describe a system with a fixed density even if the chemical potential is tuned to reproduce the correct density.
We study the magnetic properties of the one-dimensional Hubbard model under fixed chemical potential. By using derivatives of the Lieb-Wu equation, the magnetization curve at zero temperature is obtained for various fixed band fillings and/or chemical potentials. As a well known result, in the case of the fixed band filling, there is only one second-order phase transition at magnetic saturation. On the other hand, when the chemical potential is fixed instead of the electron density, it is found that there is an additional phase transition in the magnetization curve.
We develop series expansions for the ground state properties of the Hubbard model by introducing an Ising anisotropy into the Hamiltonian. For the two-dimensional square lattice half-filled Hubbard model, the ground state energy, local moment, sublattice magnetization, uniform magnetic susceptibility, and spin stiffness are calculated as a function of U/t, where U is the Coulomb constant and t is the hopping parameter. Magnetic susceptibility data indicate a crossover around U\ensuremath{\approxeq}4 between spin density wave antiferromagnetism and Heisenberg antiferromagnetism. Comparisons with Monte Carlo simulations, random phase approximation result, and mean-field solutions are also made.
We study the zero-temperature phase diagram of the disordered spin-111 Bose-Hubbard model in a two-dimensional square lattice. To this aim, we use a mean-field Gutzwiller ansatz and a probabilistic mean-field perturbation theory. The spin interaction induces two different regimes, corresponding to a ferromagnetic and antiferromagnetic order. In the ferromagnetic case, the introduction of disorder reproduces analogous features of the disordered scalar Bose-Hubbard model, consisting in the formation of a Bose glass phase between Mott insulator lobes. In the antiferromagnetic regime, the phase diagram differs more from the scalar case. Disorder in the chemical potential can lead to the disappearance of Mott insulator lobes with an odd-integer filling factor and, for sufficiently strong spin coupling, to Bose glass of singlets between even-filling Mott insulator lobes. Disorder in the spinor coupling parameter results in the appearance of a Bose glass phase only between the nnn and the n+1n+1n+1 lobes for nnn odd. Disorder in the scalar Hubbard interaction inhibits Mott insulator regions for occupation larger than a critical value.
The Hubbard model has been widely used to describe magnetism due to itinerant electrons. However, except for the one-dimensional case, no exact solution of the model exists. We have studied the two-dimensional Hubbard model on a square lattice using a Monte Carlo simulation technique. Simulations were performed on lattices of up to 8×8 in spatial size. We will discuss results for thermodynamic properties and correlation functions as a function of temperature and interaction strength. For the half-filled band case, our results indicate that the system exhibits long-range antiferromagnetic order in the ground state for any nonzero interaction, although substantially reduced from the classical Néel state due to both charge and spin fluctuations. For the non-half-filled band case, our results suggest that no long-range magnetic order exists. We also don’t find any indication of short-ranged ferromagnetic correlations in the parameter range studied. We have also studied the predictions of various approximate treatments for this model, particularly the static approximation and the coherent potential approximation (CPA). By comparison with the Monte Carlo results, we discuss the validity of these schemes. Finally, we discuss the effect of changing the band structure on the magnetic properties of the system.
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 introduce the notion of an impurity susceptibility as a measure of the effect of disorder on the properties of interacting many-particle systems. If finite, the impurity susceptibility gives the lowest-order correction to a given physical observable in the presence of disorder. If divergent, it signals that arbitrarily weak disorder leads to a qualitatively different physical behavior. Using a quantum Monte Carlo technique, impurity susceptibilities for various properties of the one-dimensional Hubbard model are calculated. Two types of disorder are considered; random hopping matrix elements and random potentials. For the local magnetic moment and the kinetic energy the impurity susceptibilities are finite. The impurity susceptibility of the q=2kF{\mathit{k}}_{\mathit{F}}kF​ spin response is divergent for both types of disorder, indicating a quenching of the T\ensuremath{\rightarrow}0 divergence of this quantity. The susceptibility of the q=0 spin response to random hopping diverges at half filling, as a consequence of a divergent magnetic susceptibility in the presence of this type of disorder. We also find large, possibly divergent, impurity susceptibilities for the q=2kF{\mathit{k}}_{\mathit{F}}kF​ and 4kF{\mathit{k}}_{\mathit{F}}kF​ charge-density responses.