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arXiv:cond-mat/0210691 · Journal of the Physical Society of Japan

Exact Solutions of Domain Wall and Spiral Ground States in Hubbard Models

Makoto Homma, Chigak Itoi

Published Mar 15, 2004• 3 citations
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Abstract

We construct a set of exact ground states with a localized ferromagnetic domain wall and an extended spiral structure in a deformed flat-band Hubbard model. In the case of quarter filling, we show the uniqueness of the ground state with a fixed magnetization. We discuss more realistic situation given by a band-bending perturbation, which can stabilize these curious structures. We study the scattering of a conduction electron by the domain wall and the spiral spins.

DOI
10.1143/jpsj.73.499

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We construct a set of exact ground states with a localized ferromagnetic domain wall and an extended spiral structure in a deformed flat-band Hubbard model. In the case of quarter filling, we show the uniqueness of the ground state with a fixed magnetization. We discuss more realistic situation given by a band-bending perturbation, which can stabilize these curious structures. We study the scattering of a conduction electron by the domain wall and the spiral spins.
We investigate the magnetization of the ground state of the one-dimensional flat-band Hubbard model as a function of the electron filling, using exact diagonalization techniques. Our calculation shows that the systems with odd n holes added to half-filling bands for a sufficiently large U (the on-site Coulomb repulsion energy) have a saturated ferromagnetic ground state, which is nondegenerate except for the trivial spin degeneracy. Dependences of the critical value of U on the size and on λ (a parameter of the system) are also investigated. For all values of λ, it is found that the ground state is a saturated ferromagnetic state if U is sufficiently large. Moreover, we find that the critical U for the saturated ferromagnetic ground state is almost independent on the system size, at least, for the system near quarter-filling. These facts indicate that even if the system size go to infinity, the ferromagnetic ground state can be exist for a finite U .
We investigate magnetic properties in the ground state of the one-dimensional flat-band Hubbard model in high electron filling. Until now, we found the new saturated ferromagnetism for odd numbers of holes, and its properties were investigated in detail. However, it was remained as a problem how we understand the complete alternation of magnetism between saturated ferromagnetism and singlet for odd and even numbers of holes, respectively. This alternation causes a difficulty when we consider the thermodynamic limit. In order to solve this difficulty, we investigate, at first, the change of the magnetization for systems with various boundary conditions, and we find that even for the even numbers of holes, the ground states are saturated ferromagnetic under the antiperiodic boundary condition. Furthermore, we explicitly investigate the spin-spin correlation functions < S z i S z j > to see the spin ordering. These calculations shows that all ground states in this filling region are the spiral state under a suitable boundary condition, and that the singlet states in these ground states, therefore, have a ferromagnetic order within, approximately, a half of the system size, although the total spin is still zero. From these results, we conclude that the properties in this region are by no means ill, and all ground states are essentially ferromagnetic in the sense that the spins in the singlet states are also ordered ferromagnetically if we take in the half of the system size.
We study, within the Hartree-Fock approximation, the relative stability of different classes of states for the single-band Hubbard model on a square lattice in the presence of a nearest-neighbor Coulomb repulsion V and away from half-filling. We consider (i) homogeneous metallic states (including spiral phases), (ii) states that exhibit phase separation into hole-rich and antiferromagnetic regions, and (iii) insulating (longitudinally polarized) spin-density-wave states with domain walls that trap holes. For V=0, the spiral states have the lowest energy for hole concentration \ensuremath{\delta}>${\mathrm{\ensuremath{\delta}}}_{\mathit{s}}$. At ${\mathrm{\ensuremath{\delta}}}_{\mathit{s}}$\ensuremath{\sim}0.25--0.3, there is a transition to domain walls for small to intermediate U/t. At larger U/t the transition is to a phase-separated state, with ${\mathrm{\ensuremath{\delta}}}_{\mathit{s}}$ decreasing slowly with increasing U/t. We find that even a small V destabilizes the domain walls relative to the spiral states; e.g., for V/t\ensuremath{\sim}0.2, the domain-wall states are unstable for all U/t and all \ensuremath{\delta}\ensuremath{\ge}0.05. The effect of V on the phase-separated state is much less drastic; its region of stability relative to the spiral states also shrinks to smaller \ensuremath{\delta}, but rather slowly. The last results are in agreement with the findings from a Schwinger-boson treatment of the t-J model.
In order to study conditions for the appearance of ferromagnetism in a wide filling region, we investigate numerically three types of one-dimensional Lieb-ferrimagnetic Hubbard models: a periodic diamond (PD) chain, a periodic alternately-attached leg (PAAL) chain and an open diamond (OD) chain. All of these models have a flat band (or equivalently, degenerate single-electron eigenvalues). The PD and OD chains commonly have a local-loop structure. Nagaoka's theorem holds only in the PD chain. At half-filling, it have been rigorously proven that all of these models are ferrimagnet. Away from half-filling, however, quite different magnetic properties are found. In the fillings 1/3< rho_e <1/2, the ground state of the PD chain for a infinitely-large U is the extended ferromagnetic state, that is, the saturated ferromagnetic state or the spiral state for odd or even number of electrons, respectively. In the PAAL chain, on the other hand, there is no magnetic order. Thus, the flat band is found to be not a sufficient condition of the extended ferromagnetic state. We find, moreover, that the saturated ferromagnetism appears in the OD chain, although the Nagaoka theorem does not hold on this chain. This indicates that the local-loop structure plays an important role on the appearance of the extended ferromagnetic state.
We present a Hubbard model with a special hopping matrix, which has highly degenerate single-electron energy eigenstates but has different properties than the flat-band Hubbard model. Our model has a paramagnetic ground state when the electron filling factor is less than or equal to quarter-filling. In the case of quarter-filling with one extra electron, the present model exhibits saturated ferromagnetism in the ground states for a sufficiently large value of on-site Coulomb interaction but does not for a small one.