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arXiv:cond-mat/0409002

Momentum space anisotropy in doped Mott insulators

Tiago C. Ribeiro

Published Sep 1, 2004• 0 citations
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Abstract

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.

DOI
10.48550/arxiv.cond-mat/0409002

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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.
We introduce a valence bond dynamical mean-field theory of doped Mott insulators. It is based on a minimal cluster of two orbitals, each associated with a different region of momentum space and hybridized to a self-consistent bath. The low-doping regime is characterized by singlet formation and the suppression of quasiparticles in the antinodal regions, leading to the formation of Fermi arcs. This is described in terms of an orbital-selective transition in reciprocal space. The calculated tunneling and photoemission spectra are consistent with the phenomenology of the normal state of cuprates. We derive a low-energy description of these effects using a generalization of the slave-boson method.
Experimental studies reveal a striking asymmetry in low-energy single-particle excitations between electron- and hole-doped cuprates. Electron-doped cuprates display a nontrivial dichotomy: Fermi-liquid-like behavior (suggesting weaker electronic correlations) coexists with correlation-driven features typical of hole-doped systems. This dual nature challenges a unified description within a doped Mott insulator framework. The present work addresses this issue by establishing that the ground-state wave function of the ttt-t′t't′-JJJ model generically possesses a two-component structure, comprising a coherent quasiparticle and an incoherent composite component. The kinetic energy arises from both the intrinsic propagation of the coherent quasiparticle and the resonance between these components. Using variational Monte Carlo at the level of a single hole, we show that for hole doping (t′<0t'<0t′<0), this resonance between components dominates and concentrates in the nodal region at low energies. This emergent propagation induced by resonance can be physically interpreted as originating from the recombination of fractionalized degrees of freedom, which drives various phenomena associated with strong correlations. Conversely, for electron doping (t′>0t'>0t′>0), the coherent quasiparticle propagation, which exhibits conventional properties of a Fermi liquid, is selectively enhanced in the antinodal region at low energies. This produces a separation in momentum space for systems with electron doping: the antinodal spectral weight at low energies is governed by the coherent quasiparticle, fundamentally differing from the nodal region, which remains dominated by the incoherent composite component. Motivated by such a structure and guided by experimental observations, we propose a phenomenological Green's function at finite doping, yielding spectral features consistent with experiments.
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.
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 study the superconducting state of the hole-doped two-dimensional Hubbard model using cellular dynamical mean-field theory, with the Lanczos method as impurity solver. In the underdoped regime, we find a natural decomposition of the one-particle (photoemission) energy gap into two components. The gap in the nodal regions, stemming from the anomalous self-energy, decreases with decreasing doping. The antinodal gap has an additional contribution from the normal component of the self-energy, inherited from the normal-state pseudogap, and it increases as the Mott insulating phase is approached.
We present results of a systematic quantum Monte Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES and IPES), two-particle spectra (spin and density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow us to identify different physical regimes. Near half-filling we find an anomalous ``Hubbard-I phase,'' where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless ``bands'' emerge due to the dressing of electrons/holes with spin excitations. We present a simple phenomenological fit that reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low-doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of $\ensuremath{\approx}15%,$ i.e., the underdoped region in the phase diagram of high-Tc{T}_{c}Tc​ superconductors. We also investigate the nature of the magnetic ordering transition in the single-particle spectra. We show that the transition to a spin-density wave-like band structure is not accomplished by the formation of any resolvable ``precursor bands,'' but rather by a (spectroscopically invisible) band of spin-3/2 quasiparticles. We discuss implications for the ``remnant Fermi surface'' in insulating cuprate compounds and the shadow bands in the doped materials.