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Canadian Journal of Physics

The spin susceptibility of an amorphous Hubbard model

K. L. Liu

Published Apr 1, 1984• 5 citations
Publisher

Abstract

We study the temperature-dependent spin susceptibility of a structurally disordered Hubbard model with a quasi-exponential transfer integral based on a hydrogenic 1 s wavefunction. The electronic hopping is treated perturbatively up to fourth order. The susceptibility is calculated for various atomic concentrations and electronic densities and for different strengths of on-site Coulomb repulsion. Contact is made with the measured susceptibility of lightly doped semiconductors. The possibility for ferromagnetism in the model is examined and conclusions analogous to Nagaoka's theorem and Kanamori's theory are obtained. Finally, using a generalized Kirkwood superposition approximation for the many-body distribution functions, we have investigated the influence of short-range atomic correlation on the magnetic properties.

DOI
10.1139/p84-053

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We study the temperature-dependent spin susceptibility of a structurally disordered Hubbard model with a quasi-exponential transfer integral based on a hydrogenic 1 s wavefunction. The electronic hopping is treated perturbatively up to fourth order. The susceptibility is calculated for various atomic concentrations and electronic densities and for different strengths of on-site Coulomb repulsion. Contact is made with the measured susceptibility of lightly doped semiconductors. The possibility for ferromagnetism in the model is examined and conclusions analogous to Nagaoka's theorem and Kanamori's theory are obtained. Finally, using a generalized Kirkwood superposition approximation for the many-body distribution functions, we have investigated the influence of short-range atomic correlation on the magnetic properties.
We study the frequency-dependent electrical conductivity of a structurally disordered single-band Hubbard model near half-filling and in the strong-correlation limit. The electronic transfer integral is assumed to have a quasi-exponential form as used in the impurity-band problem of doped semiconductors. The short-time expansion of the current correlation function is calculated diagrammatically to the second order in the inverse temperature β and up to the seventh order in electronic hopping. Based on this expansion an approximate current correlation function is constructed. By means of the Kubo formula, the configurational average of the electrical conductivity is then calculated to order β2 for various atomic densities. The validity of the high-temperature expansion is examined. We also study the effect of spin polarization on the absorption line shape and the dc resistivity at different temperatures.
Abstract. We study the influence of on-site disorder on the magnetic properties of the ground state of the infinite-U one-dimensional (1D) Hubbard model. We find that the ground state is not ferromagnetic. This is analysed in terms of the algebraic structure of the spin dependence of the Hamiltonian. A simple explanation is derived for the 1=N periodicity in the persistent current for this model. The Hubbard model is the simplest model one can study to examine the effects of correlations between electrons in narrow energy bands. The Hamiltonian consists of a nearest neighbour hopping term and an electron–electron repulsion, U, which acts only when two electrons are on the same site. The Hubbard model is also the canonical model for the study of itinerant ferromagnetism. The strong coupling regime is of special importance for the study of ferromagnetism, since a theorem by Nagaoka [1] states that in theU D 1 limit, the ground state (GS) is ferromagnetic given some connectivity property of the lattice (which holds in most cases for d> 1). The model is solvable in one dimension and it was shown [2] that for open boundary conditions (BCs) the GS for finiteU is a singlet, i.e. there can be no ferromagnetism unless one postulates explicitly spin- or velocity-dependent forces. For infinite U, the GS of
We study the density of states for a structurally random Hubbard model with a half-filled band. Calculations are carried out with the hopping integral t(R) obtained from a hydrogenic 1S wave function and with an on-site Coulomb repulsion [Formula: see text]. The equation of motion for the retarded single-particle Green's function is treated in the Hubbard III decoupling approximation. The configurational averaging for the Green's function is simplified using the approximation of Kikuchi. Coefficients in the locator–interactor expansion are calculated analytically up to seventh order in t. Several approximants for this formal series are investigated, including Padé approximant, continued fraction approximation, and quadratic Padé approximant. The last two approximants yield densities of state in satisfactory agreement with the result of Aoki and Kamimura in the high concentration region and our results are expected to represent an improvement for intermediate densities. However, for very low densities the Hubbard III scheme will underestimate the effect of spin correlations and our previous treatment in the U = ∞ limit would be more appropriate for the lower Hubbard band.
The magnetic susceptibility at absolute-zero temperature for the one-dimensional Hubbard model is studied exactly as a function of the concentration of electrons by using Lieb and Wu's theory for this system. Our analysis essentially follows Griffiths's method for the magnetic susceptibility of the one-dimensional Heisenberg antiferromagnet, and is a generalization of Takahashi's calculation to the systems with an arbitrary concentration of electrons. The ground-state energy and the magnitude of local moments at each site are also studied. Combined with the results on the susceptibility, they should suggest how the effect of the Coulomb interaction on the properties of the system at low temperatures changes with the concentration of electrons.
The magnetic susceptibility of the two-dimensional repulsive Hubbard model with nearest-neighbor hopping is investigated using the diagram technique developed for the case of strong correlations. In this technique, a power series in the hopping constant is used. At half-filling, the calculated zero-frequency susceptibility and the square of the site spin reproduce adequately the results of Monte Carlo simulations. Also, in agreement with numerical simulations, no evidence of ferromagnetic correlations was found in the considered range of electron concentrations $0.8\ensuremath{\lesssim}\overline{n}\ensuremath{\lesssim}1.2$ for the repulsion parameters $8\ensuremath{\mid}t\ensuremath{\mid}\ensuremath{\leqslant}U\ensuremath{\leqslant}16\ensuremath{\mid}t\ensuremath{\mid}$. However, for larger $U∕\ensuremath{\mid}t\ensuremath{\mid}$ and $\ensuremath{\mid}1\ensuremath{-}\overline{n}\ensuremath{\mid}\ensuremath{\approx}0.2$, the nearest-neighbor correlations become ferromagnetic. For $\overline{n}\ensuremath{\lesssim}0.94$ and $\overline{n}\ensuremath{\gtrsim}1.06$, the imaginary part of the real-frequency susceptibility becomes incommensurate for small frequencies. The incommensurability parameter grows with departure from half-filling and decreases with increasing frequency. This behavior of the susceptibility can explain the observed low-frequency incommensurate response observed in normal-state lanthanum cuprates.