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arXiv:cond-mat/0208189 · Physical review. B, Condensed matter

Differences between hole and electron doping of a two-leg CuO ladder

Satoshi Nishimoto, Eric Jeckelmann, Douglas J. Scalapino

Published Dec 20, 2002• 31 citations
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Abstract

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.

DOI
10.1103/physrevb.66.245109

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arXiv:0804.3085•Apr 18, 2008•0 citations
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.
Using density matrix renormalization group calculations, we compare results obtained for the $t\ensuremath{-}J,$ one-band Hubbard, and three-band Hubbard models of a two-leg CuO ladder. Spin and charge gaps, pair binding energies, and effective pair hoppings are calculated for a wide range of parameters. All three models have an insulating state at a filling corresponding to one hole per Cu site. For physically relevant parameters their spin gaps are similar in size but they exhibit quite different charge gaps. We find that the binding energy of a pair of doped holes is of the order of the undoped ladder spin gap for all three models. The main difference between the models is the size of the effective pair hopping, which is significantly larger in the three-band model with parameters appropriate for CuO materials than in the other two models.
We study current-current correlations in the three-band Hubbard model for two-leg CuO ladders using the density-matrix renormalization group method. We find that these correlations decrease exponentially with distance for low doping but as a power law for higher doping. Their pattern is compatible with the circulating current (CC) phase which Varma has proposed to explain the pseudogaped metallic phase in underdoped high-temperature superconductors. However, for model parameters leading to a realistic ground state in the undoped ladder, the current fluctuations decay faster than the ddd-wavelike pairing correlations in the hole-doped state, at least up to a doping of 10%. Thus we conclude that no phase with CC order or dominant CC fluctuations occur in the three-band model of two-leg CuO ladders at low doping.
We investigate the Emery model on several ladder-like lattices including two legs of copper d orbitals and various numbers of oxygen p orbitals. Pair binding energy, pair spatial structure, density distribution, and pairing correlation functions are calculated using the density-matrix renormalization group (DMRG). We show that a Luther-Emery phase with enhanced pairing correlations can be found for hole doping as well as for electron doping with realistic model parameters. Ladder properties depend sensitively on model parameters, the oxygen p orbitals taken into account, and boundary conditions. The pair binding energy is a more reliable quantity than correlation functions for ascertaining the occurrence of pairing in ladders. Overall, our results for two-leg Emery ladders support the possibility of superconductivity in the hole-doped 2D model. The issue is rather to determine which of the various ladder structures and model parameters are appropriate to approximate the two-dimensional cuprates.
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.
In this paper, we have systematically studied the single-hole problem in two-leg Hubbard and $t\ensuremath{-}J$ ladders by large-scale density-matrix renormalization-group calculations. We found that the doped holes in both models behave similarly, while the three-site correlated hopping term is not important in determining the ground-state properties. For more insights, we have also calculated the elementary excitations, i.e., the energy gaps to the excited states of the system. In the strong-rung limit, we found that the doped hole behaves as a Bloch quasiparticle in both systems where the spin and charge of the doped hole are tightly bound together. In the isotropic limit, while the hole still behaves like a quasiparticle in the long-wavelength limit, our results show that its spin and charge components are only loosely bound together inside the quasiparticle, whose internal structure can lead to a visible residual effect which dramatically changes the local structure of the ground-state wave function.
We study current-current correlations in the three-band Hubbard model for two-leg CuO ladders using the density-matrix renormalization group method. We find that these correlations decrease exponentially with distance for low doping but as a power law for higher doping. Their pattern is compatible with the circulating current (CC) phase which Varma has proposed to explain the pseudo-gaped metallic phase in underdoped high-temperature superconductors. However, for model parameters leading to a realistic ground state in the undoped ladder, the current fluctuations decay faster than the d-wave-like pairing correlations in the doped state. Thus we conclude that no phase with CC order or dominant CC fluctuations occur in the three-band model of two-leg CuO ladders.