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arXiv:cond-mat/0503380 · Physical Review B

Phase diagram of the three-band half-filled Cu-O two-leg ladder

Sootaek Lee, John Bradley Marston, John Ove Fjærestad

Published Aug 18, 2005• 12 citations
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Abstract

We determine the phase diagram of the half-filled two-leg ladder both at weak and strong coupling, taking into account the Cu ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ and the O ${p}_{x}$ and ${p}_{y}$ orbitals. At weak coupling, renormalization group flows are interpreted with the use of bosonization. Two different models with and without outer oxygen orbitals are examined. For physical parameters, and in the absence of the outer oxygen orbitals, the D-Mott phase arises; a dimerized phase appears when the outer oxygen atoms are included. We show that the circulating current phase that preserves translational symmetry does not appear at weak coupling. In the opposite strong-coupling atomic limit the model is purely electrostatic and the ground states may be found by simple energy minimization. The phase diagram so obtained is compared to the weak-coupling one.

DOI
10.1103/physrevb.72.075126

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We determine the phase diagram of the half-filled two-leg ladder both at weak and strong coupling, taking into account the Cu dx2\ensuremath−y2{d}_{{x}^{2}\ensuremath{-}{y}^{2}}dx2\ensuremath−y2​ and the O px{p}_{x}px​ and py{p}_{y}py​ orbitals. At weak coupling, renormalization group flows are interpreted with the use of bosonization. Two different models with and without outer oxygen orbitals are examined. For physical parameters, and in the absence of the outer oxygen orbitals, the D-Mott phase arises; a dimerized phase appears when the outer oxygen atoms are included. We show that the circulating current phase that preserves translational symmetry does not appear at weak coupling. In the opposite strong-coupling atomic limit the model is purely electrostatic and the ground states may be found by simple energy minimization. The phase diagram so obtained is compared to the weak-coupling one.
In the weak coupling limit, we establish the phase diagram of a two-leg ladder with a unit cell containing both Cu and O atoms, as a function of doping. We use bosonization and design a specific renormalization group procedure to handle the additional degrees of freedom. Significant differences are found with the single orbital case; for purely repulsive interactions, a completely massless quantum critical region is obtained at intermediate carrier concentrations (well inside the bands) where the ground state consists of an incommensurate pattern of orbital currents plus a spin density wave structure.
In the weak-coupling limit, we investigate two-leg ladders with a unit cell containing both Cu and O atoms as a function of doping. For purely repulsive interactions, using bosonization, we find significant differences with the single-orbital case: a completely massless quantum critical regime is obtained for a finite range of carrier concentration. In a broad region of the phase diagram, the ground state consists of a pattern of orbital currents plus a density wave. NMR properties of the Cu and O nuclei are presented for the various phases.
The ground-state phase diagram of the half-filled two-leg Hubbard ladder with intersite Coulomb repulsions and exchange coupling is studied by using the strong-coupling perturbation theory and the weak-coupling bosonization method. Considered here as possible ground states of the ladder model are four types of density-wave states with different angular momentum (s(s(s-density-wave state, p-density-wave state, d-density-wave state, and f-density-wave state) and four types of quantum disordered states, i.e., Mott insulating states (S(S(S-Mott, D-Mott, ${S}^{\ensuremath{'}}$-Mott, and ${D}^{\ensuremath{'}}$-Mott states, where S and D stand for s- and d-wave symmetry). The s-density-wave state, the d-density-wave state, and the D-Mott state are also known as the charge-density-wave state, the staggered-flux state, and the rung-singlet state, respectively. Strong-coupling approach naturally leads to the Ising model in a transverse field as an effective theory for the quantum phase transitions between the staggered-flux state and the D-Mott state and between the charge-density-wave state and the S-Mott state, where the Ising ordered states correspond to doubly degenerate ground states in the staggered-flux or the charge-density-wave state. From the weak-coupling bosonization approach it is shown that there are three cases in the quantum phase transitions between a density-wave state and a Mott state: the Ising (Z2){(Z}_{2})(Z2​) criticality, the SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ criticality, and a first-order transition. The quantum phase transitions between Mott states and between density-wave states are found to be the U(1) Gaussian criticality. The ground-state phase diagram is determined by integrating perturbative renormalization-group equations. It is shown that the S-Mott state and the staggered-flux state exist in the region sandwiched by the charge-density-wave phase and the D-Mott phase. The p-density-wave state, the ${S}^{\ensuremath{'}}$-Mott state, and the ${D}^{\ensuremath{'}}$-Mott state also appear in the phase diagram when the next-nearest-neighbor repulsion is included. The correspondence between Mott states in extended Hubbard ladders and spin-liquid states in spin ladders is also discussed.
Correlated-electron theories of superconductivity in layered cuprates often start from the premise of a gapped spin-liquid phase proximate to the superconducting state. This assumption is justified based on analytical and numerical demonstrations of a superconducting Luther-Emery phase in the doped 2-leg one-band Hubbard ladder, and the perceived analogy between coupled ladders and the two-dimensional CuO2{\mathrm{CuO}}_{2}CuO2​ layer. We demonstrate from accurate density matrix renormalization group studies the absence of the superconducting Luther-Emery phase in the doped 2-leg three-band ladder consisting of both copper and oxygen, even as the spin gap is large in the undoped three-band ladder. For realistic oxygen-oxygen hopping and Hubbard repulsion on the oxygen atoms, density-density rather than pairing correlations are dominant at long range. This result is equally valid whether or not the oxygens outside the ladder proper, over and above the rung and leg oxygens, are included in the computation. These results demonstrate the critical importance of oxygen orbitals, and raise disturbing questions about the applicability of many of the existing correlated-electron theories of superconductivity.
Here we report results of a density-matrix-renormalization-group calculation of the charge, spin, and pairing properties of a two-leg CuO Hubbard ladder. The outer oxygen atoms as well as the rung and leg oxygen atoms are included along with near-neighbor and oxygen-hopping matrix elements. This model allows us to study the effects of hole and electron doping on a system that is a charge-transfer insulator at a filling of one hole per Cu and exhibits power law, d-wave-like pairing correlations when doped. In particular, we focus on the differences between doping with holes and with electrons.
We use exact diagonalization to determine the spectrum of reduced Hamiltonians based on renormalization group flows to strong coupling. For the half-filled two-leg Hubbard ladder we reproduce the known insulating d-Mott ground state with spin and charge gaps. For the saddle point regions of the two-dimensional Hubbard model near half filling we find a crossover to a similar strong coupling state, which truncates the Fermi surface near the saddle points. At lower scales d-wave superconductivity appears on the remaining Fermi surface.