1. Band structure of overdoped cuprate superconductors: Density functional theory matching experiments
- Author
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Motoyuki Ishikado, K. Hauser, Takeshi Kondo, Takayuki Kawamata, Stephen M Hayden, K. P. Kramer, D. Sutter, Hiroshi Eisaki, Niels B. M. Schröter, Titus Neupert, Nicholas C. Plumb, Christian Matt, Ming Shi, T. Takayama, Thorsten Schmitt, Tadashi Adachi, Jonas A. Krieger, Vladimir N. Strocov, Masafumi Horio, Alla Chikina, Yasmine Sassa, T. Ohgi, Stepan S. Tsirkin, Johan Chang, Sunseng Pyon, Hidenori Takagi, Yoji Koike, O. J. Lipscombe, University of Zurich, and Kramer, K P
- Subjects
Physics ,Superconductivity ,3104 Condensed Matter Physics ,530 Physics ,Photoemission spectroscopy ,Condensed Matter - Superconductivity ,FOS: Physical sciences ,2504 Electronic, Optical and Magnetic Materials ,10192 Physics Institute ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Superconductivity (cond-mat.supr-con) ,Crystallography ,Condensed Matter::Superconductivity ,0103 physical sciences ,Content (measure theory) ,Cuprate ,Density functional theory ,010306 general physics ,0210 nano-technology ,Electronic band structure ,Energy (signal processing) - 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-overdoped cuprate superconductors (${\mathrm{La}}_{1.59}{\mathrm{Eu}}_{0.2}{\mathrm{Sr}}_{0.21}{\mathrm{CuO}}_{4}$, ${\mathrm{La}}_{1.77}{\mathrm{Sr}}_{0.23}{\mathrm{CuO}}_{4}$, ${\mathrm{Bi}}_{1.74}{\mathrm{Pb}}_{0.38}{\mathrm{Sr}}_{1.88}{\mathrm{CuO}}_{6+{\delta}}$, ${\mathrm{Tl}}_{2}{\mathrm{Ba}}_{2}{\mathrm{CuO}}_{6+{\delta}}$, and ${\mathrm{Pr}}_{1.15}{\mathrm{La}}_{0.7}{\mathrm{Ce}}_{0.15}{\mathrm{CuO}}_{4}$) have been studied with special focus on the bands with a predominately $d$-orbital character. Using a light polarization analysis, the ${e}_{g}$ and ${t}_{2g}$ bands are identified across these materials. A clear correlation between the ${d}_{3{z}^{2}{-}{r}^{2}}$ 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. A 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." name="description" />
- Published
- 2019
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