Exact many-electron ground states on diamond and triangle Hubbard chains
Zsolt Gulacsi, Arno Kampf, Dieter Vollhardt
备注：
21 pages, 9 figures. Will be published in the proceedings of YKIS2007 conference (November 2007, Kyoto) as a special issue of Progress of Theoretical Physics Supplement. Fig.6 corrected
We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian into positive semidefinite form, (ii) the construction of a many-electron ground state of this Hamiltonian, and (iii) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fulfill certain relations. The scheme is first employed to construct exact ground state for the diamond Hubbard chain in a magnetic field. These ground states are found to exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior, which can be tuned by changing the magnetic flux, local potentials, or electron density. Detailed proofs of the uniqueness of the ground states are presented. By the same technique exact ground states are constructed for triangle Hubbard chains and a one-dimensional periodic Anderson model with nearest-neighbor hybridization. They permit direct comparison with results obtained by variational techniques for f-electron ferromagnetism due to a flat band in CeRh3B2.
Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior. The properties of these ground states can be tuned by changing the magnetic flux, local potentials, or electron density.
We study the geometrical frustration of extended Hubbard model on diamond chain, where vertical lines correspond to the hopping and repulsive Coulomb interaction terms between sites, while the rest of them represent only the Coulomb repulsion one. The phase diagrams at zero temperature show quite curious phases: five types of frustrated states and four types of non-frustrated ones, ordered antiferromagnetically. Although decoration transformation was derived to spin coupling systems, this approach can be applied to electron coupling ones. Thus the extended Hubbard model can be mapped onto anot…
Ring-exchange interactions have been proposed as a possible mechanism for a Bose-liquid phase at zero temperature, a phase that is compressible with no superfluidity. Using the Stochastic Green Function algorithm (SGF), we study the effect of these interactions for bosons on a two-dimensional triangular lattice. We show that the supersolid phase, that is known to exist in the ground state for a wide range of densities, is rapidly destroyed as the ring-exchange interactions are turned on. We establish the ground-state phase diagram of the system, which is characterized by the absence of the exp…
The ground state and thermodynamic properties of an asymmetric diamond Ising--Hubbard chain with the on-site electron-electron attraction has been considered. The problem can be solved exactly using the decoration-iteration transformation. In the case of the antiferromagnetic Ising interaction, the influence of this attraction on the ground state and the temperature dependences of the magnetization, magnetic susceptibility, and specific heat has been studied.
We investigate a mechanism to establish ground-state ferromagnetism in flat-band Hubbard systems based on a kind of {\it order-from-disorder} effect driven by dispersion. As a paradigm we consider a frustrated diamond chain, where for ideal diamond geometry the lowest one-electron band is flat, but the ground state remains paramagnetic for arbitrary on-site repulsion $U$. We focus on half filling of the flat band. By using numerical and analytical arguments we present the ground-state phase diagram for a distorted diamond chain, i.e., the former flat band becomes dispersive. Driven by the inte…
In the preprint cond-mat/0701060 we detected a factor two error in the coding of the Heisenberg term of the Hamiltonian. In the result the exchange term used in the paper was that of an anisotropic Heisenberg model with $J_x=J_y=J$ and $J_z=J/2$. Thus all results given for which J=0 was chosen, remain unchanged, whereas all results containing the exchange parameter remain true for the extended Hubbard model with anisotropic exchange. That model is of some interest by itself, due to the relation to the XXZ model. The differing results for isotropic exchange are given here.
In a recent X-ray absorption study in boron doped diamond, Nakamura et al. have seen a well isolated narrow boron impurity band in non-superconducting samples and an additional narrow band at the chemical potential in a superconducting sample. We interpret the beautiful spectra as evidence for upper Hubbard band of a Mott insulating impurity band and an additional metallic `mid-gap band' of a conducting `self-doped' Mott insulator. This supports the basic framework of a recent theory of the present author of strongly correlated impurity band superconductivity (SCIBS) in a template of a wide-ga…
We study the Hubbard model on the frustrated honeycomb lattice with nearest-neighbor $t_1$ and second nearest-neighbor hopping $t_2$, which is isomorphic to the bilayer triangle lattice, using the SU(2)-invariant slave boson theory. We show that the Coulomb interaction $U$ induces antiferromagnetic (AF) chiral spin-density wave ($χ$-SDW) order in a wide range of $κ=t_2/t_1$ where both the two-sublattice AF order at small $κ$ and the decoupled three-sublattice 120$^\circ$ order at large $κ$ are strongly frustrated, leading to three distinct phases with different anomalous Hall responses. We fin…
We study the interplay of strong electron correlations and intra-triangle spin exchange at two-thirds filling of the single-orbital Hubbard model on the decorated honeycomb lattice using rotationally invariant slave bosons. We find that the spin exchange tunes between a spin-$1$ Mott insulator, a metal, and a spin-$0$ Mott insulator when the exchange is antiferromagnetic. The Mott insulators occur from effective intra-triangle multi-orbital interactions and are adiabatically connected to the ground state of an isolated triangle. An antiferromagnetic spin exchange, as determined by the Goodenou…
The recently introduced topological quantum chemistry (TQC) framework has provided a description of universal topological properties of all possible band insulators in all space groups based on crystalline unitary symmetries and time reversal. While this formalism filled the gap between the mathematical classification and the practical diagnosis of topological materials, an obvious limitation is that it only applies to weakly interacting systems-which can be described within band theory. It is an open question to which extent this formalism can be generalized to correlated systems that can exh…
A new formalism to calculate electronic states of vacancies in diamond has been developed using many-body techniques.This model is based on prevoius molecular models but does not use configuration interaction and molecular orbital techniques. A generalized Hubbard Hamiltonian which consists of all electron-electron interaction terms is calculated on the atomic orbital bases. Spatial symmetry $T_{d}$ and spin information of system are included in the form of Hamiltonian, so the eigenstates have automatically the correct spin and symmetry properties. Optimizing two key parameters of the model th…
We study the symmetry properties of the single-band Hubbard model with general spin-orbit coupling (SOC) on the Kagome lattice. We show that the global U(1) spin-rotational symmetry is present in the Hubbard Hamiltonian owing to the inversion symmetry centered at sites. The corresponding spin Hamiltonian has, therefore, the SO(2) spin-rotational symmetry, which can be captured by including SOC non-perturbatively. The exact classical groundstates, which we obtain for arbitrary SOC, are governed by the SU(2) fluxes associated with SOC threading the constituent triangles. The groundstates break t…
The Hubbard model extended by either nearest-neighbour Coulomb correlation and/or nearest neighbour Heisenberg exchange is solved analytically for a triangle and tetrahedron. All eigenvalues and eigenvectors are given as functions of the model parameters in a closed form. The groundstate crossings and degeneracies are discussed both for the canonical and grand-canonical energy levels. The grand canonical potential and the electron occupation of the related cluster gases were calculated for arbitrary values (attractive and repulsive) of the three interaction constants. In the pure Hubbard model…
We used the exact eigenvectors of the generalized Hubbard Hamiltonian solution to predict the transition intensities of the well known $GR1$ and $ND1$ transitions at the neutral and charged vacancies in diamond. In addition to using exact eigenvectors, the method of the calculation is more precise than already reported calculations. The quantitative results can exlain recent experimental data very good.
We investigate the ground-state property of an e_g-orbital Hubbard model at quarter filling on a zigzag chain by exploiting the density matrix renormalization group method. When two orbitals are degenerate, the zigzag chain is decoupled to a doble-chain spin system to suppress the spin frustration due to the spatial anisotropy of the occupied orbital. On the other hand, when the level splitting is increased and the orbital anisotropy disappears, a characteristic change in the spin incommnsurability is observed due to the revival of the spin frustration.
Exact results for the Hubbard model on bipartite lattices in spatial dimensions $d>1$: Seven theorems from the full [SU(2)$\times$SU(2)$\times$U(1)]/$\mathbb{Z}_2^2$ symmetry
Center of Physics of University of Minho and University of Porto（米尼奥大学与波尔图大学物理中心）；CeFEMA, Instituto Superior Técnico, Universidade de Lisboa（里斯本大学高等技术学院 CeFEMA）
We consider the standard repulsive Hubbard model with a flat lowest-energy band for two one-dimensional lattices (diamond chain and ladder) as well as for a two-dimensional lattice (bilayer) at half filling of the flat band. The considered models do not fall in the class of Mielke-Tasaki flat-band ferromagnets, since they do not obey the connectivity conditions. However, the ground-state ferromagnetism can emerge, if the flat band becomes dispersive. To study this kinetic-energy-driven ferromagnetism we use perturbation theory and exact diagonalization of finite lattices. We find as a typical …
We consider the antiferromagnetic Heisenberg and the repulsive Hubbard model on two $N$-site one-dimensional lattices, which support dispersionless one-particle states corresponding to localized states on triangular trapping cells. We calculate the degeneracy of the ground states in the subspaces with $n\le n_{\max}$, $n_{\max}\propto N$ magnons or electrons as well as the contribution of these states (independent localized states) to thermodynamic quantities. Moreover, we discuss another class of low-lying eigenstates (so-called interacting localized states) and calculate their contribution t…
We demonstrate that at a filling of $n=1.5$, an hexatic insulating state obtains in the extended Hubbard model on a triangular lattice. Composed of two tetragonal sublattices with fillings of $n=1$ and $n=2$, the insulating state is charge ordered and possesses an antiferromagnetic superlattice with dimension $a\times\sqrt{3}$. Two distinct energy scales arise in our model, a charge gap for the insulator and the effective exchange interaction in the antiferromagnet. Our model is capable of explaining both qualitatively and quantitatively the Hall coefficient including the sign change, the temp…
Magnetism of layered cobaltites Na$_x$CoO$_2$ with $x$ = 0.6 and 0.9 has been investigated by a positive muon spin rotation and relaxation ($μ^+$SR) spectroscopy together with magnetic susceptibility and specific heat measurements, using single crystal samples in the temperature range between 250 and 1.8 K. Zero-field (ZF-) $μ^+$SR measurements on Na$_{0.9}$CoO$_2$ indicates a transition from a paramagnetic to an incommensurate spin density wave state at 19 K(=$T_{\sf SDW}$). The anisotropic ZF-$μ^+$SR spectra suggest that the oscillating moments of the {\sf IC-SDW} directs along the c-axis. S…
We explore the kinetic magnetism of the infinite-$U$ repulsive Hubbard models at low hole densities on various lattices with nearest-neighbor hopping integrals modulated by a staggered magnetic flux $\pmϕ$. Tuning $ϕ$ from 0 to $π$ makes the ground state (GS) change from a Nagaoka-type ferromagnetic state to a Haerter-Shastry-type antiferromagnetic state at a critical $ϕ_c$, with both states being of kinetic origin. Intra-plaquette spin correlation, as well as the GS energy, signals such a quantum criticality. This tunable kinetic magnetism is generic, and appears in chains, ladders and two-di…
We study electrons hopping on a kagome lattice at third filling described by an extended Hubbard Hamiltonian with on-site and nearest-neighbour repulsions in the strongly correlated limit. As a consequence of the commensurate filling and the large interactions, each triangle has precisely two electrons in the effective low energy description, and these electrons form chains of different lengths. The effective Hamiltonian includes the ring exchange around the hexagons as well as the nearest-neighbor Heisenberg interaction. Using large scale exact diagonalization, we find that the effective mode…
