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arXiv:0711.1990 · Physical Review B

Magnetism of one-dimensional Wigner lattices and its impact on charge order

Maria Daghofer, R. M. Noack, Peter Horsch

Published Nov 20, 2008• 4 citations
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Abstract

The magnetic phase diagram of the quarter-filled generalized Wigner lattice with nearest-neighbor and next-nearest-neighbor hoppings, ${t}_{1}$ and ${t}_{2}$, is explored. We find a region at negative ${t}_{2}$ with fully saturated ferromagnetic ground states that we attribute to kinetic exchange. Such interaction disfavors antiferromagnetism at ${t}_{2}<0$ and stems from virtual excitations across the charge gap of the Wigner lattice, which is much smaller than the Mott-Hubbard gap $\ensuremath{\propto}U$. Remarkably, we find a strong dependence of the charge structure factor on magnetism even in the limit $U\ensuremath{\rightarrow}\ensuremath{\infty}$, in contrast to the expectation that charge ordering in the Wigner lattice regime should be well described by spinless fermions. Our results, obtained using the density-matrix renormalization group and exact diagonalization, can be transparently explained by means of an effective low-energy Hamiltonian.

DOI
10.1103/physrevb.78.205115

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The magnetic phase diagram of the quarter-filled generalized Wigner lattice with nearest-neighbor and next-nearest-neighbor hoppings, t1{t}_{1}t1​ and t2{t}_{2}t2​, is explored. We find a region at negative t2{t}_{2}t2​ with fully saturated ferromagnetic ground states that we attribute to kinetic exchange. Such interaction disfavors antiferromagnetism at t2<0{t}_{2}<0t2​<0 and stems from virtual excitations across the charge gap of the Wigner lattice, which is much smaller than the Mott-Hubbard gap \ensuremath∝U\ensuremath{\propto}U\ensuremath∝U. Remarkably, we find a strong dependence of the charge structure factor on magnetism even in the limit U\ensuremath→\ensuremath∞U\ensuremath{\rightarrow}\ensuremath{\infty}U\ensuremath→\ensuremath∞, in contrast to the expectation that charge ordering in the Wigner lattice regime should be well described by spinless fermions. Our results, obtained using the density-matrix renormalization group and exact diagonalization, can be transparently explained by means of an effective low-energy Hamiltonian.
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.
The effect of next-nearest-neighbor hopping t2{t}_{2}t2​ on the ground-state phase diagram of the one-dimensional Kondo lattice is studied with density-matrix renormalization-group techniques and by comparing with the phase diagram of the classical-spin variant of the same model. For a finite t2{t}_{2}t2​, i.e., for a zigzag-ladder geometry, indirect antiferromagnetic interactions between the localized spins are geometrically frustrated. We demonstrate that t2{t}_{2}t2​ at the same time triggers several magnetic phases which are absent in the model with nearest-neighbor hopping only. For strong JJJ, we find a transition from antiferromagnetic to incommensurate magnetic short-range order, which can be understood entirely in the classical-spin picture. For weaker JJJ, a spin-dimerized phase emerges, which spontaneously breaks the discrete translation symmetry. The phase is not accessible to perturbative means but is explained, on a qualitative level, by the classical-spin model as well. Spin dimerization alleviates magnetic frustration and is interpreted as a key to understand the emergence of quasi-long-range spiral magnetic order, which is found at weaker couplings. The phase diagram at weak JJJ, with gapless quasi-long-range order on top of the twofold degenerate spin-dimerized ground state, competing with a nondegenerate phase with gapped spin (and charge) excitations, is unconventional and eludes an effective low-energy spin-only theory.
Charge ordering is often found in the phase diagram of unconventional superconductors in close proximity to the superconducting state. This has led to the suggestion that fluctuations of charge order can mediate superconducting pairing. While several mechanisms can lead to charge order, one common mechanism is the long-range Coulomb interaction, resulting in a Wigner crystal charge ordered state. For an electron density of 0.5 per site, we investigate the extended Hubbard model on the two-dimensional square lattice using exact diagonalization and density matrix renormalization group methods. Our results show that the strength of pairing decreases with the nearest-neighbor Coulomb interaction strength VVV and remains weaker than the tendency of pairing for noninteracting electrons.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.
We calculate spin and charge excitation spectra of the one-dimensional (1D) quarter-filled Hubbard model with nearest-neighbor ttt and next-nearest-neighbor ${t}^{\ensuremath{'}}$ hopping integrals using the dynamical density-matrix renormalization group technique. We consider a case where ttt (>0)(>0)(>0) is much smaller than ${t}^{\ensuremath{'}}$ (>0)(>0)(>0). First, we examine the accuracy of our method based on comparison between our result and exact noninteracting spectrum. Next, we investigate the spectra with the on-site Coulomb interaction. We find that the spin and charge excitation spectra are essentially the same as those of the 1D quarter-filled Hubbard (and $t\text{\ensuremath{-}}J$) model for the two 1D chains along the hopping integral ${t}^{\ensuremath{'}}$. However, the hopping integral ttt $(<{t}^{\ensuremath{'}})$ plays a crucial role in the short-range correlations and low-energy excitaions; ferromagnetic correlation between electrons on neighboring sites is enhanced and pairing correlation between the electrons is induced. Consequently, a spin-triplet superconducting state may be derived.
We investigate the magnetic order and related strongly correlated effects in a one-dimensional Ising-Kondo lattice with transverse field. This model is the anisotropic limit of the conventional isotropic Kondo lattice model, in the sense that the itinerant electrons interact with the localized magnetic moments via only longitudinal Kondo exchange. Adopting the numerical density-matrix renormalization group method, we map out the ground-state phase diagram in various parameter spaces. Depending on the Kondo coupling and filling number, three distinct phases, including a metallic paramagnetic, a metallic ferromagnetic, and a gapped spin-density wave phase, are obtained. The spin-density wave is characterized by an ordering wave vector, which coincides with the nesting wave vector of the Fermi surface. This makes the corresponding magnetic transition a spin analog of the Peierls transition occurring in the one-dimensional metal. Moreover, by analyzing the momentum distribution function and charge correlation function, the conduction electrons are shown to behave like free spinless fermions in the ferromagnetic phase. We finally discuss the effect of the repulsive Hubbard interaction between conduction electrons. Our paper enriches the Kondo physics and deepens the current understanding of the heavy fermion compounds.