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Journal of the Physical Society of Japan

Coexisting Ground State of Ferromagnetic and Charge Orderings in the Doped Extended Hubbard Ladder with Intersite Repulsions

Shotaro Morohoshi, Yoshiyuki Fukumoto

Published Oct 10, 2008• 2 citations
Publisher

Abstract

The origin of metallic ferromagnetism is a long-standing problem in condensed matter physics, because it is a strong coupling phenomenon essentially. It was also known that one dimensional systems have a lesser chance of showing ferromagnetism in the ground states. In fact, for a class of one-dimensional correlated electron systems including the simple Hubbard chain, the ground state was proved to be nonmagnetic. Several authors have been studied whether ferromagnetism is stabilized or not by taking neglected terms in the simple Hubbard chain into account. It was shown that a positive next-nearest neighbor hopping leads to ferromagnetism for less-than-half filled systems in strong correlation regime on the basis of DMRG calculations. We call this model the railroad–trestle-lattice Hubbard model below. The railroad–trestle lattice is graphically shown in Fig. 1. In this article, we treat the problem of ferromagnetism of the nearly half-filled extended Hubbard ladder with an additional intersite repulsion V . The Hamiltonian is H 1⁄4 t P hi; ji; ðc y i cj þ c y j ci Þ þU P i nini# þV P hi; ji ninj, where ci represent electron creation operators, ni 1⁄4 P c y i ci , and hi; ji denotes nearest-neighbor pairs of the sites on the two-leg ladder. Vojta et al. made a DMRG study of this model in strong coupling region. Tsuchiizu and Suzumura recently studied this model by using the weakcoupling bosonization method, motivated by the experimental observation of a charge-density-wave in the selfdoped ladder compound Sr14 xCaxCu24O41. 7,8) We first mention the half-filled case, i.e., electron density n 1⁄4 1. When U < 3V , the ground state has the checkerboard-type charge-ordering shown in Fig. 2 due to the intersite repulsion. (The sublattice consisting of doubly occupied sites is defined as A-sublattice.) Our main concern is what happens when holes are doped into this chargeordered insulating state. By using the DMRG method, Vojta et al. calculated the checkerboard-type charge-ordering correlation function from quarter-filling to half-filling, 1=2 n 1, where U 1⁄4 8t was chosen. They confirmed that the long-range charge-order correlation is obtained for V VcðnÞ ’ U=3. They also found that the total spin of the doped charge-ordering state is not zero, i.e., the charge ordering coexists with ferromagnetism. However, the origin of this ferromagnetism was not clarified. The main purpose of this paper is to get intuitive understanding of the ferromagnetism in the doped charge-ordered state. In order to attack this issue, we assume t U, V and use strong coupling expansion. Then, we calculate the effective Hamiltonian for holes doped into the charge-ordered state at half-filling. When holes are introduced, they enter the A-sublattice sites [see Fig. 3(a)]. If we totally neglect the bare hopping term in H, then we have the ground state degeneracy concerned with the way of arrangement of doped holes. The introduction of the bare hopping term resolves this degeneracy and is expected to induce an ordering of the doped holes. In order to write down the second-order effective Hamiltonian with respect to t, it is convenient to carry out the particle–hole transformation for the A-sublattice according to c‘ 1⁄4 a‘ , where a y ‘ are the creation operators of the A-sublattice holes. Within the two-hole approximation, we obtain the following effective Hamiltonian:

DOI
10.1143/jpsj.77.105005

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The origin of metallic ferromagnetism is a long-standing problem in condensed matter physics, because it is a strong coupling phenomenon essentially. It was also known that one dimensional systems have a lesser chance of showing ferromagnetism in the ground states. In fact, for a class of one-dimensional correlated electron systems including the simple Hubbard chain, the ground state was proved to be nonmagnetic. Several authors have been studied whether ferromagnetism is stabilized or not by taking neglected terms in the simple Hubbard chain into account. It was shown that a positive next-nearest neighbor hopping leads to ferromagnetism for less-than-half filled systems in strong correlation regime on the basis of DMRG calculations. We call this model the railroad–trestle-lattice Hubbard model below. The railroad–trestle lattice is graphically shown in Fig. 1. In this article, we treat the problem of ferromagnetism of the nearly half-filled extended Hubbard ladder with an additional intersite repulsion V . The Hamiltonian is H 1⁄4 t P hi; ji; ðc y i cj þ c y j ci Þ þU P i nini# þV P hi; ji ninj, where ci represent electron creation operators, ni 1⁄4 P c y i ci , and hi; ji denotes nearest-neighbor pairs of the sites on the two-leg ladder. Vojta et al. made a DMRG study of this model in strong coupling region. Tsuchiizu and Suzumura recently studied this model by using the weakcoupling bosonization method, motivated by the experimental observation of a charge-density-wave in the selfdoped ladder compound Sr14 xCaxCu24O41. 7,8) We first mention the half-filled case, i.e., electron density n 1⁄4 1. When U < 3V , the ground state has the checkerboard-type charge-ordering shown in Fig. 2 due to the intersite repulsion. (The sublattice consisting of doubly occupied sites is defined as A-sublattice.) Our main concern is what happens when holes are doped into this chargeordered insulating state. By using the DMRG method, Vojta et al. calculated the checkerboard-type charge-ordering correlation function from quarter-filling to half-filling, 1=2 n 1, where U 1⁄4 8t was chosen. They confirmed that the long-range charge-order correlation is obtained for V VcðnÞ ’ U=3. They also found that the total spin of the doped charge-ordering state is not zero, i.e., the charge ordering coexists with ferromagnetism. However, the origin of this ferromagnetism was not clarified. The main purpose of this paper is to get intuitive understanding of the ferromagnetism in the doped charge-ordered state. In order to attack this issue, we assume t U, V and use strong coupling expansion. Then, we calculate the effective Hamiltonian for holes doped into the charge-ordered state at half-filling. When holes are introduced, they enter the A-sublattice sites [see Fig. 3(a)]. If we totally neglect the bare hopping term in H, then we have the ground state degeneracy concerned with the way of arrangement of doped holes. The introduction of the bare hopping term resolves this degeneracy and is expected to induce an ordering of the doped holes. In order to write down the second-order effective Hamiltonian with respect to t, it is convenient to carry out the particle–hole transformation for the A-sublattice according to c‘ 1⁄4 a‘ , where a y ‘ are the creation operators of the A-sublattice holes. Within the two-hole approximation, we obtain the following effective Hamiltonian:
Abstract Using the strong coupling diagram technique, we investigate the extended Hubbard model on a two-dimensional square lattice. This approach allows for charge and spin fluctuations and a short-range antiferromagnetic order at nonzero temperatures. The model features the first-order phase transition to states with alternating site occupations (SAO) at the intersite repulsion v = v c . In this work, we show that doping decreases v c . For a nonzero next-nearest neighbor hopping t ′ , less mobile carriers produce a stronger fall in v c . For half-filling and t ′ = 0 , we consider phase diagrams for a fixed temperature T, on-site U, and intersite repulsions. The diagrams contain regions of SAO, Mott insulator, and several metallic states distinguished by their densities of states. Two of them are characterized by a dip and a peak at the Fermi level. The dip originates from the Slater mechanism for itinerant electrons, while the peak to bound states of electrons with localized magnetic moments. The existence of these two metallic regions in the phase diagram is a manifestation of the Pomeranchuk effect. The boundary between these regions reveals itself as a kink in the curve v c (T) and as a maximum in the T dependence of the double occupancy D. Our calculated D for different values of v, U, and T are in semiquantitative agreement with Monte Carlo results.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near 1/81/81/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about 1/51/51/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
In the first part of the present Thesis, the ground state (GS) properties of the quasi-one-dimensional AB₂ Hubbard model are investigated taking the effects of charge and spin quantum fluctuations on equal footing. Using a functional integral approach, combined with a perturbative expansion in the strong-coupling regime, we obtain the Lagrangian density associated with the charge (Grassmann fields) and spin [SU(2) gauge fields] degrees of freedom. In the strong-coupling regime, we derive a perturbative low-energy theory suitable to describe the ferrimagnetic phase at half filling and the phases in the hole-doped regime. At half filling, a perturbative spin-wave analysis allows us to find the GS energy, sublattice magnetizations, and total spin per unit cell in the Lieb ferrimagnetic GS of the effective quantum Heisenberg model, in very good agreement with previous results. In the challenging hole doping regime away from half filling, we derive the corresponding t-J Hamiltonian. Under the assumption that charge and spin quantum correlations are decoupled, the evolution of the second-order spin-wave modes in the doped regime unveils the occurrence of spatially modulated spin structures and the emergence of phase separation in the presence of resonatingvalence-bond (RVB) states. We also calculate the doping-dependent GS energy and total spin per unit cell, including both Zeeman and orbital contributions, in which case it is shown that the spiral ferrimagnetic order collapses at a critical hole concentration. Notably, our analytical results in the doped regime are in very good agreement with density matrix renormalization group (DMRG) studies, where our assumption of spin-charge decoupling is numerically supported by the formation of charge-density waves in anti-phase with the modulation of the magnetic structure. In the second part, motivated by analogy with photonic lattices, we examine the edge states of a one-dimensional trimer lattice in the phases with and without inversion symmetry protection. In contrast to the Su-Schrieffer-Heeger model, we show that the edge states in the inversion-symmetry broken phase of the trimer model turn out to be chiral, i.e., instead of appearing in pairs localized at opposite edges they can appear at a single edge. Interestingly, these chiral edge states remain robust to large amounts of disorder. In addition, we use the Zak phase to characterize the emergence of degenerate edge states in the inversion-symmetric phase of the trimer model. Furthermore, we capture the essentials of the whole family of trimers through a mapping onto the commensurate off-diagonal Aubry-André-Harper model, which allows us to establish a direct connection between chiral edge modes in the two models, including the calculation of Chern numbers.We thus suggest that the chiral edge modes of the trimer lattice have a topological origin inherited from this effective mapping. Also, we find a nontrivial connection between the topological phase transition point in the trimer lattice and the one in its associated two-dimensional parent system, in agreement with results in the context of Thouless pumping in photonic lattices.
In the present work the numerical density matrix renormalization group (DMRG) algorithm is used to analyze the ground state properties of the Hubbard model with transverse spin-exchange. The DMRG algorithm, which was developed by White in 1992, is based on the following simple but effective concept: the ground-state wavefunction as well as the low energy excitations of a large interacting chain are obtained by increasing the lattice size iteratively, starting with a small one that can be diagonalized exactly. The exponentially growing Hilbert space is controlled by a renormalization procedure in which 'less important' degrees of freedom are integrated out. Motivated by recent experimental findings showing evidence for the competition or even coexistence of triplet superconductivity and ferromagnetism we focused our investigations on a rather simple extension of the Hubbard model including transverse spin exchange between electrons on nearest-neighbour sites. In the half-filled case, we showed that the phase diagram obtained in the weak-coupling limit has to be modified. A new phase, described by spin and charge excitation gap, shows long-range order in the longitudinal spin correlation, whereas superconducting correlations are surpressed and decay exponentially as expected for the case of a finite charge gap. In general, the presence of a repulsive on-site Coulomb interaction U leads to an enlargement of the sectors with nonvanishing charge gap at the expense of the sectors with spin gap. We extend our analysis to the case of a quarter-filled band. Depending on the value J/t the model belongs either to a gapless excitation phase or to a spin gapped phase with gapless charge degrees of freedom.
The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions [Formula: see text], temperatures [Formula: see text] and electron concentrations [Formula: see text] with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at [Formula: see text]. At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from [Formula: see text] at the highest temperatures to U = 2t at [Formula: see text] for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for [Formula: see text] to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for [Formula: see text]. For [Formula: see text] and [Formula: see text] doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.
An unusual metallic phase is argued to develop in the one-dimensional ionic Hubbard model, at half-filling and zero magnetization, at intermediate electron-electron repulsion UUU when second-neighbors hopping is allowed and tuned close to a topological Lifshitz transition (connected with a change of the Fermi surface in the noninteracting system). The metallic state lies between a band insulator phase at low repulsion and a correlated (Mott-like) insulator phase at high repulsion. In approaching the latter, the model supports short-range antiferromagnetic order and spontaneous dimerization of both bond charge and nearest-neighbor antiferromagnetic correlations. A combination of mean-field and effective-field theory (bosonization) provides an analytical understanding of the physical processes underlying the argued phase transitions. The ground and low-energy excited states of finite-length chains are explored by density-matrix renormalization-group (DMRG) calculations, providing numerical evidence for the intermediate gapless phase. Such finite systems are attainable by cold atoms in optical lattices for a wide range of the parameter UUU.