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.

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Cited by in corpus (11)

• Observation of small Fermi pockets protected by clean CuO2 sheets of a high-Tc superconductor
• The overdoped end of the cuprate phase diagram
• Evolution of plasmon excitations across the phase diagram of the cuprate superconductor La${}_{2-x}$Sr${}_x$CuO${}_4$
• Absence of a BCS-BEC crossover in the cuprate superconductors
• 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
• Engineering Phase Competition Between Stripe Order and Superconductivity in La${}_{1.88}$Sr${}_{0.12}$CuO${}_4$
• Effect of strain-induced orbital splitting on the magnetic excitations in undoped cuprates
• Magnetic Excitations of a Half-Filled Tl-based Cuprate
• BCS-BEC crossover driven by small Fermi pockets of a high-Tc cuprate superconductor