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Physical review. B, Condensed matter

Origin of resonating-valence-bond states for a Hubbard-type model

Ken'ichi Takano, Kazuhiro Sano

Published Apr 1, 1989• 16 citations
Publisher

Abstract

Based on numerical diagonalization of a Hubbard-type model, we propose that, even without exchange interactions, a special kind of hole motion generates a resonating-valence-bond (RVB) state. This hole motion is induced by the second-neighbor transfer in a square lattice. Two types of RVB states appear; one consists only of short singlet pairs and the other includes a small amount of long singlet pairs.

DOI
10.1103/physrevb.39.7367

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Based on numerical diagonalization of a Hubbard-type model, we propose that, even without exchange interactions, a special kind of hole motion generates a resonating-valence-bond (RVB) state. This hole motion is induced by the second-neighbor transfer in a square lattice. Two types of RVB states appear; one consists only of short singlet pairs and the other includes a small amount of long singlet pairs.
We have calculated the energy of the resonating-valence-bond (RVB) state made of nearest-neighbor singlet pairs in the two-dimensional Hubbard model at half filling and the energy of holes in the RVB state near half filling. The energy of the RVB state was obtained by extrapolating the result in a 6\ifmmode\times\else\texttimes\fi{}6 square lattice with the periodic boundary condition to the infinite lattice. The energy of holes was obtained by examining the first five moments of the density of states of holes in the RVB state. We find that the holes are more stabilized in the RVB state than in the N\'eel state for J/t\ensuremath{\gtrsim}0.1, where J and t are the exchange interaction and the nearest-neighbor hopping integral, respectively. We discuss the possibility of the RVB state in the high-Tc{T}_{c}Tc​ Cu oxides.
We investigate the entanglement properties of resonating valence bond (RVB) states on a two-dimensional lattice in the presence of dopants that remove electrons from the lattice creating holes. The movement of the holes generated by the Hubbard Hamiltonian in the regime of strong Coulomb repulsion in this setting could be responsible for the phenomenon of high-temperature superconductivity as hypothesized by [Anderson Science 235, 1196 (1987)]. We argue that there is a particular density of dopants (holes) where the entanglement contained in the lattice attains its maximal value for the nearest-neighbor RVB liquid state. This result implies that many-body entanglement may be related to quantum phase transitions that are modeled by RVB theory.
The Hubbard model in the U\to∞ U → ∞ limit has been known to have resonating valence bond (RVB) ground states on certain corner-sharing simplex lattices. Examples include both the quasi-1D sawtooth lattice with open boundary and a larger class of higher dimensional lattices without boundaries. The two types of results were obtained by different approaches which do not apply to one another. In the second class of lattices, the simplest simplex is a tetrahedron. We hereby generalize both results by studying the singly hole-doped system on the quasi-1D lattice of a tetrahedron chain, which can be considered a stripe of the pyrochlore or checkerboard lattices. The energy level ordering of irreducible representations of each tetrahedron shows that a chain of them has exponentially degenerate partial RVB or dimer-monomer ground states where each tetrahedron hosts one spin- 1/2 1 / 2 monomer and one spin- 0 0 dimer. The exact ground states in the infinitely long chain limit are analytically solved by introducing basis transformations between local Hilbert spaces of neighboring tetrahedra, and its energy agrees with the extrapolation of numerical exact diagonalization results of finite sized systems.
An antiferromagnetic spin model (S=1/2) consisting of a chain of octahedra is considered. In a certain parameter regime of the Hamiltonian the exact ground state is a local resonating-valence-bond (RVB) state. We start with the t-J Hamiltonian for this model describing a single hole in the system and derive exact ground and excited states of the Hamiltonian when the hole is static. The local spin distortion around a hole is termed a spin polaron. The dynamics of the hole is studied through construction of exact eigenstates describing spin polarons in extended states. Coherent states for all momentum wave vectors in the chain direction exist for certain spin polarons. In the Nagaoka limit, the RVB polaronic states have energy greater than that of the ferromagnetic state. For exchange interaction J\ensuremath{\ne}0, the RVB states have lower energy. Other exact states obtained include states in which the hole motion is localized. Structural similarity of the present model to the arrangement of Cu spins in La2{\mathrm{La}}_{2}La2​CuO4{\mathrm{CuO}}_{4}CuO4​ is also highlighted.
The concept of the resonating valence bond (RVB) state was originally proposed by Anderson (1987) for the ground state of the positive-U Hubbard model. However, the on-site pairing long-range order is expected to exist in the ground state of the negative-U Hubbard model and to be incompatible with the RVB order. In this article, we shall rigorously prove that, in fact, these two long-range orderings either coexist or are suppressed simultaneously in the global ground states of the doped Hubbard models.