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arXiv:0809.0950 · Physical Review Letters

Evolution of Electronic Structure of Doped Mott Insulators: Reconstruction of Poles and Zeros of Green’s Function

志朗 酒井, Yukitoshi Motome, Masatoshi Imada

Published Feb 4, 2009• 206 citations
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Abstract

We study the evolution of metals from Mott insulators in the carrier-doped 2D Hubbard model using a cluster extension of the dynamical mean-field theory. While the conventional metal is simply characterized by the Fermi surface (pole of the Green function G), interference of the zero surfaces of G with the pole surfaces becomes crucial in the doped Mott insulators. Mutually interfering pole and zero surfaces are dramatically transferred over the Mott gap, when lightly doped holes synergetically loosen the doublon-holon binding. The heart of the Mott physics such as the pseudogap, hole pockets, Fermi arcs, in-gap states, Lifshitz transitions, and non-Fermi liquids appears as natural consequences of this global interference in the frequency space.

DOI
10.1103/physrevlett.102.056404

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Reply to Comment on "Evolution of electronic structure of doped Mott insulator - reconstruction of poles and zeros of Green's function" [arXiv:0904.0454] by P. Phillips

志朗 酒井, Yukitoshi Motome, Masatoshi Imada

In a recent Comment [arXiv:0904.0454] on our Letter [Phys. Rev. Lett. 102, 056404 (2009); arXiv:0809:0950], Phillips criticizes one specific issue discussed in our paper, concerning the spectral weight transfer, among our wide-ranging clarifications of the filling-control Mott transition. Here we show that all his criticisms have nothing to do with our contributions. Our nontrivial finding on this particular aspect is a very quick, non-linear increase in the spectral weight just above the chemical potential caused by tiny doping to the Mott insulator, which is indeed unprecedented in the literature. We call attention to its novelty in comparison with the perturbation theory, and reemphasize our picture for the quick weight transfer, that is, an avalanchine screening of doublon-holon binding energy.

arXiv:0904.2318•Apr 15, 2009•0 citations
We study the evolution of metals from Mott insulators in the carrier-doped 2D Hubbard model using a cluster extension of the dynamical mean-field theory. While the conventional metal is simply characterized by the Fermi surface (pole of the Green function G), interference of the zero surfaces of G with the pole surfaces becomes crucial in the doped Mott insulators. Mutually interfering pole and zero surfaces are dramatically transferred over the Mott gap, when lightly doped holes synergetically loosen the doublon-holon binding. The heart of the Mott physics such as the pseudogap, hole pockets, Fermi arcs, in-gap states, Lifshitz transitions, and non-Fermi liquids appears as natural consequences of this global interference in the frequency space.
Underdoped Mott insulators provide us with a challenge of many-body physics. Recent renewed understanding is discussed in terms of the evolution of pole and zero structure of the single-particle Green's function. Pseudogap as well as Fermi arc/pocket structure in the underdoped cuprates is well reproduced from the recent cluster extension of the dynamical mean-field theory. Emergent coexisting zeros and poles set the underdoped Mott insulator apart from the Fermi liquid, separated by topological transitions. Cofermion proposed as a generalization of exciton in the slave-boson framework accounts for the origin of the zero surface formation. The cofermion-quasiparticle hybridization gap offers a natural understanding of the pseudogap and various unusual Mottness. Furthermore the cofermion offers a novel pairing mechanism, where the cofermion has two roles: It reinforces the Cooper pair as a pair partner of the quasiparticle and acts as a glue as well. It provides a strong insight for solving the puzzle found in the dichotomy of the gap structure.
We investigate the low energy properties of a correlated metal in the proximity of a Mott insulator within the Hubbard model in two dimensions. We introduce a new version of the Cellular Dynamical Mean Field Theory using cumulants as the basic irreducible objects. These are used for re-constructing the lattice quantities from their cluster counterparts. The zero temperature one particle Green's function is characterized by the appearance of lines of zeros, in addition to a Fermi surface which changes topology as a function of doping. We show that these features are intimately connected to the opening of a pseudogap in the one particle spectrum and provide a simple picture for the appearance of Fermi arcs.
We study electronic structure of hole- and electron-doped Mott insulators in the two-dimensional Hubbard model to reach a unified picture for the normal state of cuprate high-Tc{T}_{c}Tc​ superconductors. By using a cluster extension of the dynamical mean-field theory, we demonstrate that structure of coexisting zeros and poles of the single-particle Green's function holds the key to understand Mott physics in the underdoped region. We show evidence for the emergence of non-Fermi-liquid phase caused by the topological quantum phase transition of Fermi surface by analyzing low-energy charge dynamics. The spectra calculated in a wide range of energy and momentum reproduce various anomalous properties observed in experiments for the high-Tc{T}_{c}Tc​ cuprates. Our results reveal that the pseudogap in hole-doped cuprates has a ddd-wavelike structure only below the Fermi level while it retains non-ddd-wave structure with a fully opened gap above the Fermi energy even in the nodal direction due to a zero surface extending over the entire Brillouin zone. In addition to the non-ddd-wave pseudogap, the present comprehensive identifications of the spectral asymmetry as to the Fermi energy, the Fermi arc, and the back-bending behavior of the dispersion, waterfall, and low-energy kink, in agreement with the experimental anomalies of the cuprates, do not support that these originate from (the precursors of) symmetry breakings such as the preformed pairing and the ddd-density-wave fluctuations, but support that they are direct consequences of the proximity to the Mott insulator. Several possible experiments are further proposed to prove or disprove our zero mechanism.
Cluster dynamical mean-field calculations based on 2-, 4-, 8-, and 16-site clusters are used to analyze the doping-driven metal-insulator transition in the two-dimensional Hubbard model. Comparison of results obtained on different clusters enables a determination of those aspects of the physics that are common to all clusters and permits identification of artifacts associated with particular cluster geometries. A modest particle-hole asymmetry in the underlying band structure is shown to lead to qualitatively different behavior on the hole-doped side than on the electron-doped side. For particle-hole asymmetry of the sign and magnitude appropriate to high-Tc{T}_{c}Tc​ cuprates, the approach to the insulator from the hole-doping side is found to proceed in two stages from a high-doping region where the properties are those of a Fermi liquid with moderately renormalized parameters and very weak momentum dependence. As doping is reduced the system first enters an intermediate doping regime where the Fermi-liquid renormalizations are larger and the electron self-energy varies significantly around the Fermi surface and then passes to a small doping regime characterized by a gap on some parts of the Fermi surface but gapless behavior in other parts. On the electron-doped side the partially gapped regime does not occur, and the momentum dependence of the electron self-energy is less pronounced. Implications for the high-Tc{T}_{c}Tc​ cuprates and for the use of cluster dynamical mean-field methods in wider classes of problems are discussed.
In this paper we investigate the zero-temperature doping-driven evolution of a superconductor toward the Mott insulator in a two-dimensional electron model, relevant for high-temperature superconductivity. To this purpose we use a cluster extension of dynamical mean-field theory. Our results show that a standard ddd-wave superconductor, realized at high doping, is driven into the Mott insulator via an intermediate superconducting state displaying unconventional physical properties. By restoring the translational invariance of the lattice, we give an interpretation of these findings in momentum space. In particular, we show that at a finite doping a strong momentum-space differentiation takes place: non-Fermi liquid and insulatinglike (pseudogap) characters rise in some regions (antinodes), while Fermi liquid quasiparticles survive in other regions (nodes) of momentum space. We describe the consequence of these happenings on the spectral properties, stressing in particular the behavior of the superconducting gap, which reveals two distinct nodal and antinodal energy scales as a function of doping, detected in photoemission and Raman spectroscopy experiments. We study and compare with experimental results the doping-dependent behavior of other physical quantities, such as for instance, the nodal quasiparticle velocity (extracted in angle-resolved photoemission) and the low-energy slopes of the local density of states and of the Raman scattering response. We then propose a description of the evolution of the electronic structure while approaching the Mott transition. We show that, within our formalism, a strong asymmetry naturally arises in the local density of states, measured in scanning tunneling spectroscopy. We investigate in detail the doping evolution of the electronic bands, focusing on the kinklike quasiparticle dispersion observed with angle-resolved photoemission in specific cuts of the momentum-energy space. We finally show the consequences of the properties presented above in the doping dependence of the Hall resistivity, measured in magnetotransport experiments.
In a recent Comment [arXiv:0904.0454] on our Letter [Phys. Rev. Lett. 102, 056404 (2009); arXiv:0809:0950], Phillips criticizes one specific issue discussed in our paper, concerning the spectral weight transfer, among our wide-ranging clarifications of the filling-control Mott transition. Here we show that all his criticisms have nothing to do with our contributions. Our nontrivial finding on this particular aspect is a very quick, non-linear increase in the spectral weight just above the chemical potential caused by tiny doping to the Mott insulator, which is indeed unprecedented in the literature. We call attention to its novelty in comparison with the perturbation theory, and reemphasize our picture for the quick weight transfer, that is, an avalanchine screening of doublon-holon binding energy.