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arXiv:cond-mat/0209480 · Physical review. B, Condensed matter

Influence of spin-wave excitations on the ferromagnetic phase diagram in the Hubbard model

W. Rumsch, Wolfgang Nolting

Published Nov 25, 2002• 7 citations
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Abstract

The subject of the present paper is the theoretical description of collective electronic excitations, i.e., spin waves, in the Hubbard model. Starting with the widely used random-phase approximation, which combines Hartree-Fock theory with the summation of the two-particle ladder, we extend the theory to a more sophisticated single particle approximation, namely, the spectral-density ansatz. Doing so we have to introduce a ``screened'' Coulomb interaction rather than the bare Hubbard interaction in order to obtain physically reasonable spinwave dispersions. The discussion following the technical procedure shows that comparison of standard RPA with our new approximation reduces the occurrence of a ferromagnetic phase further with respect to the phase diagrams delivered by the single particle theories.

DOI
10.1103/physrevb.66.195109

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Physical review. B, Condensed matter•Apr 15, 1993•22 citations
The subject of the present paper is the theoretical description of collective electronic excitations, i.e., spin waves, in the Hubbard model. Starting with the widely used random-phase approximation, which combines Hartree-Fock theory with the summation of the two-particle ladder, we extend the theory to a more sophisticated single particle approximation, namely, the spectral-density ansatz. Doing so we have to introduce a ``screened'' Coulomb interaction rather than the bare Hubbard interaction in order to obtain physically reasonable spinwave dispersions. The discussion following the technical procedure shows that comparison of standard RPA with our new approximation reduces the occurrence of a ferromagnetic phase further with respect to the phase diagrams delivered by the single particle theories.
We derive the random-phase approximation for spin excitations in general multi-band Hubbard models, starting from a collinear ferromagnetic Hartree-Fock ground state. The results are compared with those from a recently introduced variational many-body approach to spin waves in itinerant ferromagnets. As we exemplify for Hubbard models with one and two bands, the two approaches lead to qualitatively different results. The discrepancies can be traced back to the fact that the Hartree-Fock theory fails to describe properly the local moments which naturally arise in a correlated-electron theory.
All the linear excitations are calculated in the random-phase approximation around a doped inhomogeneous Hartree-Fock state as well as the undoped uniform antiferromagnetic state in the one-dimensional Hubbard model. Upon doping, shape modes appear, localized around an introduced hole, as well as some ``shake-off'' branches related to combinations of local and extended Hartree-Fock orbitals. These modes are in addition to spin wave and ultragap branches in the pure antiferromagnetic state. Some characteristics of the shape modes are similar to bare processes in the t-t'-J model derived from the Hubbard model at strong coupling. Spectral weights in different susceptibility channels are calculated and shown to have peaks in low-energy regions, arising from specific shape modes.
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low electron densities) are found. In addition, the system shows an unconventional regime near half filling. It is characterized by the formation of spin and charge textures. Local magnetic moments and spin waves are also present, and the quasiparticle pole at the Fermi energy vanishes. The charge excitation spectrum is gapless. The overall features resemble those of the 1D Luttinger liquid.
On the basis of a regular perturbation theory in the form of diagrammatic technique with X-operators, a ferromagnetic state in the Hubbard model with infinite on-site Coulomb interaction U is studied for a wide range of electron concentration n. Treating the kinetic energy of electrons as perturbation, we get the exact graphic representations for three Green’s functions [Formula: see text] and [Formula: see text] for electrons with spin ↑ and ↓ (spontaneous magnetic moment is in ↑ direction) and [Formula: see text] for spin waves. All of them are expressed through the unique system of four-point and three-point vertex parts for effective electron-magnon and electron-electron interactions. These vertex parts are calculated in two approximations: a low-density approximation for n≪1 or nh=1–n≫1, and the generalized random-phase approximation (GRPA), which was suggested earlier by us for the description of paramagnetic phase in this model. An important result in both cases is the understanding of essential difference of electron states with spin ↑ and ↓. The state for ↑ has coherent character in all region of electron concentration (n>nc) where a ferromagnetic state exists, while the state for spin ↓ has mixed characters including both coherent and incoherent contribution. For the saturated ferromagnetism (n>ns) when nh≪1, [Formula: see text] is an entirely incoherent (nonquasiparticle) state. Appearance of incoherent state is probably a general property of strongly correlated systems distinguishing its behavior from the Fermi liquid. We show also that the Hubbard-I approximation has no region of applicability for the electron with spin ↓ in a ferromagnet and we found a new factor describing the correlation-narrowing of ↓ spin electron band. Green’s function [Formula: see text] calculated in two different limits n≪1 and nh≪1, are jointed together to allow us to calculate ns which lies in the intermediate concentration regime. For simple cubic lattice we found ns=0.87. In the limit nh≪1 our results reduce to the earlier known ones, including Nagaoka’s result for the spin wave energy. We point out the way to construct a rigorous theory for ferromagnetic state in the intermediate range of electron concentration. In the conclusion several important problems are discussed in connection to the continuation of the present work.
We study the collective excitation spectrum of a d = 3 site-disordered Anderson - Hubbard model at half-filling, via a random-phase approximation (RPA) about broken-symmetry, inhomogeneous unrestricted Hartree - Fock (UHF) ground states. We focus in particular on the density and character of low-frequency collective excitations in the transverse spin channel. In the absence of disorder, these are found to be spin-wave-like for all but very weak interaction strengths, extending down to zero frequency and separated from a Stoner-like band, to which there is a gap. With disorder present, a prominent spin-wave-like band is found to persist over a wide region of the disorder - interaction phase plane in which the mean-field ground state is a disordered antiferromagnet, despite the closure of the UHF single-particle gap. Site resolution of the RPA excitations leads to a microscopic rationalization of the evolution of the spectrum with disorder and interaction strength, and enables the observed localization properties to be interpreted in terms of the fraction of strong local moments and their site-differential distribution.
We use the correlated-random-field approximation and a conditional coherent-potential approximation to study the ground-state phase diagram of the one-band Hubbard model. Our approach incorporates both spin and electron correlations. It has been found that for certain values of the parameters of the model, in addition to paramagnetic, ferromagnetic, antiferromagnetic, and spin-glass or spin-liquid phases found in our earlier studies, a phase-separated phase is found to be favored for 0.7\ensuremath{\le}n\ensuremath{\le}1.0 and U/B\ensuremath{\ge}2 in good agreement with results obtained in the t-J model using the technique of the 1/N expansion. The present approach also allows one to watch the dependence of the electron density of states on the number of electrons per site and gives a single physical picture for the occurrence of a metal-insulator transition. Implications of these results for the existence of superconducting ground state as well as comparison to other studies will be briefly discussed.