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Angle-resolved photoemission spectroscopy in Hubbard model based on cluster perturbation

Bing Xue, Ren Cl, W Zhang, ZY Zhu

Published Jan 1, 2015• 0 citations
OpenAlex

Abstract

Angle-resolved photoemission spectra (ARPES) are calculated in the Hubbard model by using cluster perturbation method. It is found that in a cluster of 12 sites, the local density of states displays the phase transition from normal conductor to Mott insulator with the increase of the electron-electron coupling. We show that a pseudogap develops from the metallic phase to the insulating phase. Evidence of spin-charge separation is also verified in the calculated single particle spectral functions.

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Angle-resolved photoemission spectra (ARPES) are calculated in the Hubbard model by using cluster perturbation method. It is found that in a cluster of 12 sites, the local density of states displays the phase transition from normal conductor to Mott insulator with the increase of the electron-electron coupling. We show that a pseudogap develops from the metallic phase to the insulating phase. Evidence of spin-charge separation is also verified in the calculated single particle spectral functions.
The angle-resolved photoemission spectra (ARPES) of the spin-1/2 Holstein model at non-half-filling are calculated by using the adiabatic approximation and the classical Monte Carlo method. It is found that in the metallic state, the spectra take broad Gaussians at the band bottom, while evolving to sharp Lorentzians near the Fermi level, commonly in one, two, and three dimensions. We justify that this evolution in ARPES is connected with an electronic state transition from quasi-localized ones to the extended ones due to the scattering of electrons with the static lattice distortion.
Angle-resolved photoemission spectroscopy (ARPES) has revealed peculiar properties of mobile dopants in correlated antiferromagnets (AFMs). But, describing them theoretically, even in simplified toy models, remains a challenge. Here, we study ARPES spectra of a single mobile hole in the $t\ensuremath{-}J$ model. Recent progress in the microscopic description of mobile dopants allows us to use a geometric decoupling of spin and charge fluctuations at strong couplings, from which we conjecture a one-to-one relation of the one-dopant spectral function and the spectrum of a constituting spinon in the undoped parent AFM. We thoroughly test this hypothesis for a single hole doped into a two-dimensional Heisenberg AFM by comparing our semianalytical predictions to previous quantum Monte Carlo results and our large-scale time-dependent matrix product state calculations of the spectral function. Our conclusion is supported by a microscopic trial wave function describing spinon-chargon bound states, which captures the momentum and t/Jt/Jt/J dependence of the quasiparticle residue. From our conjecture we speculate that ARPES measurements in the pseudogap phase of cuprates may directly reveal the Dirac-fermion nature of the constituting spinons. Specifically, we demonstrate that our trial wave function provides a microscopic explanation for the sudden drop of spectral weight around the nodal point associated with the formation of Fermi arcs, assuming that additional frustration suppresses long-range AFM ordering. We benchmark our results by studying the crossover from two to one dimension, where spinons and chargons are confined and deconfined, respectively.
By comparing single-particle spectral functions of t-J and Hubbard models with recent angle-resolved photoemission (ARPES) results for LSCO and Nd-LSCO, we can decide where holes go as a function of doping, and more specifically, which type of stripe (bond-, site-centered) is present in these materials at a given doping. For dopings greater than about 12% our calculation shows furthermore that the holes prefer to proliferate out of the metallic stripes into the neighboring antiferromagnetic domains. The spectra were calculated by a cluster perturbation technique, for which we present an alternative formulation. Implications for the theory for high-Tc superconductivity are discussed.
In order to understand the effects of electron-phonon coupling and Coulomb interactions in angle-resolved photoemission spectroscopy (ARPES), a spin-1/2 Hubbard-Holstein model at half-filling is theoretically investigated by means of the mean field theory and classical Monte Carlo simulation method. It shows that the spectral shape of the one-dimensional system is significantly modified by the electron-phonon coupling and Coulomb interactions. The suppression of charge-density wave in one-dimensional system has been ascribed to the short-range Coulomb repulsion and thermal lattice fluctuations. The competition between these interactions can induce zero energy gaps in APPES as well as complete cancellation of charge or spin ordering.
Abstract How a Mott insulator develops into a weakly coupled metal upon doping is a central question to understanding various emergent correlated phenomena. To analyze this evolution and its connection to the high-Tc cuprates, we study the single-particle spectrum for the doped Hubbard model using cluster perturbation theory on superclusters. Starting from extremely low doping, we identify a heavily renormalized quasiparticle dispersion that immediately develops across the Fermi level, and a weakening polaronic side band at higher binding energy. The quasiparticle spectral weight roughly grows at twice the rate of doping in the low doping regime, but this rate is halved at optimal doping. In the heavily doped regime, we find both strong electron-hole asymmetry and a persistent presence of Mott spectral features. Finally, we discuss the applicability of the single-band Hubbard model to describe the evolution of nodal spectra measured by angle-resolved photoemission spectroscopy (ARPES) on the single-layer cuprate La2−xSrxCuO4 (0 ≤ x ≤ 0.15). This work benchmarks the predictive power of the Hubbard model for electronic properties of high-Tc cuprates.
Angle-resolved photoemission spectra are calculated microscopically for the two-dimensional attractive Hubbard model. A system of self-consistent T -matrix equations are solved numerically in the real-time domain. The single-particle spectral function has a two-peak structure resulting from the presence of bound states. The spectral function is suppressed at the chemical potential, leading to a pseudogap-like behaviour. At high temperatures and densities the pseudogap diminishes and finally disappears; these findings are similar to the experimental observations for the cuprates.