Band Structure of Overdoped Cuprate Superconductors: Density Functional Theory Matching Experiments

Abstract

A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped cuprate superconductors (La${}_{1.59}$Eu${}_{0.2}$Sr${}_{0.21}$CuO${}_4$, La${}_{1.77}$Sr${}_{0.23}$CuO${}_4$, Bi${}_{1.74}$Pb${}_{0.38}$Sr${}_{1.88}$CuO${}_{6+\delta }$, Tl${}_2$Ba${}_2$CuO${}_{6+\delta }$, and Pr${}_{1.15}$La${}_{0.7}$Ce${}_{0.15}$CuO${}_4$) have been studied with special focus on the bands with predominately $d$-orbital character. Using light polarization analysis, the $e_g$ and $t_{2g}$ bands are identified across these materials. A clear correlation between the $d_{3z^2-r^2}$ band energy and the apical oxygen distance $d_{\mathrm{A}}$ is demonstrated. Moreover, the compound dependence of the $d_{x^2-y^2}$ band bottom and the $t_{2g}$ band top is revealed. Direct comparison to density functional theory (DFT) calculations employing hybrid exchange-correlation functionals demonstrates excellent agreement. We thus conclude that the DFT methodology can be used to describe the global band structure of overdoped single layer cuprates on both the hole and electron doped side.

References in corpus (28)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• A Common Thread: the pairing interaction for the unconventional superconductors
• Polar Kerr Effect Measurements of YBa2Cu3O6+x: Evidence for Broken Symmetry Near the Pseudogap Temperature
• A universal high energy anomaly in angle resolved photoemission spectra of high temperature superconductors - possible evidence of spinon and holon branches
• Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
• Fermi-surface reconstruction by stripe order in cuprate superconductors
• High-energy kink in high-temperature superconductors
• Imaging the impact on cuprate superconductivity of varying the inter-atomic distances within individual crystal unit-cells
• Low-Energy Electronic Structure of the High-Tc Cuprates La2-xSrxCuO4 Studied by Angle-resolved Photoemission Spectroscopy
• The hierarchy of multiple many-body interaction scales in high-temperature superconductors
• Nernst and Seebeck Coefficients of the Cuprate SuperconductorYBa${}_2$Cu${}_3$O${}_{6.67}$: A Study of Fermi Surface Reconstruction
• Influence of apical oxygen on the extent of in-plane exchange interaction in cuprate superconductors
• Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy
• Origin of the material dependence of $T_c$ in the single-layered cuprates
• Three-Dimensional Fermi Surface of Overdoped La-Based Cuprates
• Suppression of the antiferromagnetic pseudogap in the electron-doped high-temperature superconductor by "protect annealing"
• The Persistence of High-Frequency Spin Fluctuations in Overdoped La${}_{2-x}$Sr${}_x$CuO${}_4$ ($x$=0.22)
• When low- and high-energy electronic responses meet in cuprate superconductors
• Direct Observation of Orbital Hybridisation in a Cuprate Superconductor
• Structural origin of apparent Fermi surface pockets in angle-resolved photoemission of Bi${}_2$Sr${}_{2-x}$La${}_x$CuO${}_{6+\delta }$
• Two-dimensional type-II Dirac fermions in layered oxides
• Identifying the Background Signal in ARPES of High Temperature Superconductors
• Strong electron correlation behind the superconductivity in Ce-free and Ce-underdoped high-Tc T'-cuprates
• Spin density wave induced disordering of the vortex lattice in superconducting La${}_{2-x}$Sr${}_x$CuO${}_4$
• Two-dimensional type-II Dirac fermions in a LaAlO3/LaNiO3/LaAlO3 quantum well
• Surface-enhanced charge-density-wave instability in underdoped Bi2201
• Nodal Landau Fermi-Liquid Quasiparticles in Overdoped La${}_{1.77}$Sr${}_{0.23}$CuO${}_4$

Cited by in corpus (17)

• Observation of small Fermi pockets protected by clean CuO2 sheets of a high-Tc superconductor
• Evolution of plasmon excitations across the phase diagram of the cuprate superconductor La${}_{2-x}$Sr${}_x$CuO${}_4$
• The overdoped end of the cuprate phase diagram
• Anisotropic scattering caused by apical oxygen vacancies in thin films of overdoped high-temperature cuprate superconductors
• Absence of a BCS-BEC crossover in the cuprate superconductors
• Description of resonant inelastic x-ray scattering in correlated metals
• Superconductivity due to fluctuating loop currents
• From non-metal to strange metal at the stripe-percolation transition in La${}_{2-x}$Sr${}_x$CuO${}_4$
• A 3D Tight-Binding Model for La-Based Cuprate Superconductors
• Three interaction energy scales in single-layer high-T${}_C$ cuprate HgBa${}_2$CuO${}_{4+\delta }$
• Superconductivity induced by structural reorganization in the electron-doped cuprate Nd${}_{2-x}$Ce${}_x$CuO${}_4$
• Oxide Fermi liquid universality revealed by electron spectroscopy
• Engineering Phase Competition Between Stripe Order and Superconductivity in La${}_{1.88}$Sr${}_{0.12}$CuO${}_4$
• Orbitally Selective Resonant Photodoping to Enhance Superconductivity
• Effect of strain-induced orbital splitting on the magnetic excitations in undoped cuprates
• BCS-BEC crossover driven by small Fermi pockets of a high-Tc cuprate superconductor
• Magnetic Excitations of a Half-Filled Tl-based Cuprate