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Physical review. B, Condensed matter

Stability of resonating-valence-bond state in the Hubbard model near half filling

Masahiro Miyazaki, Jun-ichiro Inoue, Sadamichi Maekawa

Published Oct 1, 1989• 6 citations
Publisher

Abstract

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-${T}_{c}$ Cu oxides.

DOI
10.1103/physrevb.40.6611

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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.
This paper compares the kinetic energy of holes in the antiferromagnetic (AF) state and in an approximate singlet liquid wave function of the Resonating Valence Bond type (RVB), with only nearest neighbour singlet pairing. The atomic interaction U of the Hubbard model is taken to be large compared with the band width 8 t . In the limit 8 t / U →0, I find that the hole kinetic energy is at most as low in RVB than in AF, but there are indications that it is in fact lower in AF. At finite t / U , the comparison between AF and RVB depends on corrections of order t / U which are not known yet for RVB, but which should be of the same order as in AF. As a restult within the simplest Hubbard model with nearest neighbour hopping, it is unlikely that a small concentration of holes can stabilize RVB if the latter is less stable than AH at half band filling.
The one-dimensional Hubbard model with first- and second-neighbor hopping, t1 and t2, with t2≊t1/(2)1/2 and large repulsion U, is proposed as a testing ground of Anderson’s idea that the existence of an resonating valence bond ground state in the half-filled-band case will show superconductivity when a finite concentration of holes is introduced. Interestingly, our preliminary calculations in the U=∞ limit for small chains have revealed a new mechanism for enhancement of singlet pairing: We find that for t2<0 the ground state is a singlet, and, for t2<0 and ‖t2/t1‖≪1, the nearest-neighbor extended-singlet-pairing correlation function becomes enhanced appreciably as the temperature decreases below t2.
The Hubbard model in DDD dimensions, with the on-site repulsion UUU and the transfer integral between nearest neighbors −t/D-t/\sqrt{D}−t/D​, is studied on the basis of the Kondo-lattice theory. If U/∣t∣≫1U/|t| \gg 1U/∣t∣≫1, ∣n−1∣≲∣t∣/(DU)|n - 1| \lesssim |t|/(DU)∣n−1∣≲∣t∣/(DU), where nnn is the number of electrons per unit cell, and DDD is so small that ∣J∣/D≫kBTc|J|/D \gg k_{\rm B}T_c∣J∣/D≫kB​Tc​, where J=−4t2/UJ = -4t^2/UJ=−4t2/U and TcT_cTc​ is 0K0 {\rm K}0K for D=1D = 1D=1 and is the highest critical temperature among possible ones for D≥2D \ge 2D≥2, a low-TTT phase where Tc<T≪∣J∣/(kBD)T_c < T \ll |J|/(k_{\rm B}D)Tc​<T≪∣J∣/(kB​D) is a frustrated electron liquid. Since the liquid is stabilized by the Kondo effect in conjunction with the resonating-valence-bond (RVB) mechanism, it is simply the RVB electron liquid; in one dimension, it is also the Tomonaga-Luttinger liquid. The Kondo energy of the RVB liquid is kBTK=O(∣J∣/D)k_{\rm B}T_{\rm K} = O(|J|/D)kB​TK​=O(∣J∣/D); its effective Fermi energy is O(kBTK)O(k_{\rm B}T_{\rm K})O(kB​TK​). A midband appears on the chemical potential between the upper and lower Hubbard bands; the Hubbard gap is a pseudogap. As regards the density of states per unit cell of the midband, its bandwidth is O(kBTK)O(k_{\rm B}T_{\rm K})O(kB​TK​) or O(∣J∣/D)O(|J|/D)O(∣J∣/D), its peak height is O(1/U)O(1/U)O(1/U), and its spectral weight is O[t2/(DU2)]O[t^2/(DU^2)]O[t2/(DU2)]. Since the midband almost disappears in the Heisenberg limit, the RVB electron liquid in the Heisenberg limit is simply the RVB spin liquid. The RVB electron and spin liquids adiabatically continue to each other. Since local moments form in a high-TTT phase where T≳TKT \gtrsim T_{\rm K}T≳TK​, the high-TTT phase is simply the Mott insulator.
A two-dimensional square-lattice Hubbard model is investigated. A slave-fermion formulation, in which the electron operator is expressed by a combination of bose operators for the spin freedom, and fermi operators for the charge freedom, is used. The phase diagram for the resonating valence bond (RVB) state is obtained. The RVB state shows long-range antiferromagnetic order at T =0, the period of which deviates from that of the commensurate Néel order as the system deviates from the half-filled case.
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.