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arXiv:cond-mat/0210086 · Physical Review Letters

Theory for Slightly Doped Antiferromagnetic Mott Insulators

T. K. Lee, Chang-Ming Ho, Naoto Nagaosa

Published Feb 10, 2003• 62 citations
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Abstract

New trial wave functions, constructed explicitly from the unique Mott insulating state with antiferromagnetic order, are proposed to describe the ground state of a Mott insulator slightly doped with holes or electrons. A rigid band is observed as charged quasiparticles with well-defined momenta being realized in these states. These states have much less superconducting correlations than previously studied ones. Small Fermi patches obtained are consistent with recent experiments on high T(c) cuprates doped lightly with holes or electrons.

DOI
10.1103/physrevlett.90.067001

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New trial wave functions, constructed explicitly from the unique Mott insulating state with antiferromagnetic order, are proposed to describe the ground state of a Mott insulator slightly doped with holes or electrons. A rigid band is observed as charged quasiparticles with well-defined momenta being realized in these states. These states have much less superconducting correlations than previously studied ones. Small Fermi patches obtained are consistent with recent experiments on high T(c) cuprates doped lightly with holes or electrons.
We propose a class of ground states for doped Mott insulators in the electron second quantization representation. They are obtained from a bosonic resonating valence bond (RVB) theory of the $t\text{\penalty1000-\hskip0pt}J$ model. At half filling, the ground state describes spin correlations of the S=1∕2S=1∕2S=1∕2 Heisenberg model very accurately. Its spin degrees of freedom are characterized by RVB pairing of spins, the size of which decreases continuously as holes are doped into the system. Charge degrees of freedom emerge upon doping and are described by twisted holes in the RVB background. We show that the twisted holes exhibit an off diagonal long range order (ODLRO) in the pseudogap ground state, which has a finite pairing amplitude, but is short of phase coherence. Unpaired spins in such a pseudogap ground state behave as free vortices, preventing superconducting phase coherence. The existence of nodal quasiparticles is also ensured by such a hidden ODLRO in the ground state, which is non-Fermi liquidlike in the absence of superconducting phase coherence. Two distinct types of spin excitations can also be constructed. The superconducting instability of the pseudogap ground state is discussed and a ddd-wave superconducting ground state is obtained. This class of pseudogap and superconducting ground states unifies antiferromagnetism, pseudogap, superconductivity, and Mott physics into a new state of matter.
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Though most fermionic Mott insulators order at low temperatures, ordering is ancillary to their insulating behavior. Our emphasis here is on disentangling ordering from the intrinsic strongly correlated physics of a doped half-filled band. To this end, we focus on the two-dimensional Hubbard model. Because the charge gap arises from on-site correlations, we have been refining the nonperturbative approach of Matsumoto and Mancini [Phys. Rev. B 55, 2095 (1997)] which incorporates local physics. Crucial to this method is a self-consistent two-site dynamical cluster expansion which builds in the nearest-neighbor energy scale J. At half-filling, we find that the spectral function possesses a gap of order U and is devoid of any coherent quasiparticle peaks although ordering or charge fractionalization are absent. At low temperatures, local antiferromagnetic correlations emerge. In the doped case, we find that the Fermi surface exceeds the Luttinger volume. The breakdown of Luttinger's theorem in the underdoped regime is traced both to the dynamically generated Mott gap as well to a nonvanishing of the imaginary part of the self-energy at the Fermi level. Spectral weight transfer across the Mott gap also emerges as a ubiquitous feature of a doped Mott insulator and suggests that high- and low-energy scales are inseparable. Additionally in the underdoped regime, we find that a pseudogap exists in the single-particle density of states as well as in the heat capacity. The pseudogap (which is set by the energy scale t2/U){t}^{2}/U)t2/U) is argued to be a ubiquitous feature of a lightly doped Mott state and simply represents the fact that hole transport involves double occupancy. In analogy with the Mott gap and antiferromagnetism, we propose that ordering may also accompany the formation of a pseudogap. We suggest a current pattern within a one-band model that preserves translational but breaks time-reversal symmetry along the canonical x and y axes but not along $x=\ifmmode\pm\else\textpm\fi{}y$ that is consistent with the experimental observations. Finally, we show that the Hall coefficient in a doped Mott insulator must change sign at a doping level x<1/3.x<1/3.x<1/3. The sign change is tied to a termination of strong correlation physics in the doped Mott state.
In the generalized-tJtJtJ model the effect of a large local Coulomb repulsion is accounted for by restricting the Hilbert space to states with at most one electron per site. In this case the electronic system can be viewed in terms of holes hopping in a lattice of correlated spins, where holes are the carriers doped into the half-filled Mott insulator. To explicitly capture the interplay between the hole dynamics and local spin correlations we derive a formulation of the generalized-tJtJtJ model where doped carrier operators are used instead of the original electron operators. This ``doped carrier'' formulation provides a starting point to address doped spin systems, and we use it to develop a fully fermionic, mean-field description of doped Mott insulators. This mean-field approach reveals a mechanism for superconductivity---namely, spinon-dopon mixing---and we apply it to the $t{t}^{\ensuremath{'}}{t}^{\ensuremath{''}}J$ model as of interest to high-temperature superconductors. In particular, we use model parameters borrowed from band calculations and from fitting angle-resolved photoemission spectroscopy data to obtain a mean-field phase diagram that reproduces semiquantitatively that of hole- and electron-doped cuprates. The mean-field approach hereby presented accounts for the local antiferromagnetic and ddd-wave superconducting correlations which, we show, provide a rational for the role of ${t}^{\ensuremath{'}}$ and ${t}^{\ensuremath{''}}$ in strengthening superconductivity as expected by experiments and other theoretical approaches. As we discuss how ttt, ${t}^{\ensuremath{'}}$, and ${t}^{\ensuremath{''}}$ affect the phase diagram, we also comment on possible scenarios to understand the differences between as-grown and oxygen-reduced electron-doped samples.
We propose a class of wave functions that provide a unified description of antiferromagnetism and d-wave superconductivity in (doped) Mott insulators. The wave function has a Jastrow form and prohibits double occupancies. In the absence of holes, the wave function describes antiferromagnetism accurately. Off diagonal long range order develops at finite doping and the superconducting order parameter has d-wave symmetry. We also show how nodal quasiparticles and neutral spin excitations can be constructed from this wave function.
We study the single hole tt't''J-model numerically to address the momentum space anisotropy found in doped Mott insulators. A simple two band picture to understand how the doped hole is screened by the spin background in states of different momenta is proposed. In this picture, the disparity between the nodal and antinodal regions, observed by experiments in the underdoped cuprate superconductors, follows from local energetic considerations and amounts to the distinction between well defined quasiparticle behavior and spin-charge separation related phenomenology.