Band structure of overdoped cuprate superconductors: Density functional theory matching experiments
Journal article, 2019
A comprehensive angle-resolved photoemission spectroscopy study of the band structure in singlelayer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole-and electron-overdoped cuprate superconductors (La1.59Eu0.2Sr0.21CuO4, La1.77Sr0.23CuO4, Bi1.74Pb0.38Sr1.88CuO6+delta, Tl2Ba2CuO6+delta, and Pr1.15La0.7Ce0.15CuO4) 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(3z2-r2) band energy and the apical oxygen distance d(A) is demonstrated. Moreover, the compound dependence of the d(x2-y2) 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.
Author
K. P. Kramer
University of Zürich
M. Horio
University of Zürich
S. S. Tsirkin
University of Zürich
Yasmine Sassa
Chalmers, Physics, Materials Physics
K. Hauser
University of Zürich
C. E. Matt
University of Zürich
Paul Scherrer Institut
D. Sutter
University of Zürich
A. Chikina
Paul Scherrer Institut
N. B. M. Schroter
Paul Scherrer Institut
J. A. Krieger
Swiss Federal Institute of Technology in Zürich (ETH)
Paul Scherrer Institut
T. Schmitt
Paul Scherrer Institut
V. N. Strocov
Paul Scherrer Institut
N. C. Plumb
Paul Scherrer Institut
M. Shi
Paul Scherrer Institut
S. Pyon
University of Tokyo
T. Takayama
University of Tokyo
H. Takagi
University of Tokyo
T. Adachi
Sophia University
T. Ohgi
Tohoku University
T. Kawamata
Tohoku University
Y. Koike
Tohoku University
T. Kondo
University of Tokyo
O. J. Lipscombe
University of Bristol
S. M. Hayden
University of Bristol
M. Ishikado
Comprehensive Research Organization for Science and Society (CROSS)
H. Eisaki
National Institute of Advanced Industrial Science and Technology (AIST)
T. Neupert
University of Zürich
J. Chang
University of Zürich
Physical Review B
2469-9950 (ISSN) 2469-9969 (eISSN)
Vol. 99 22 224509Subject Categories
Inorganic Chemistry
Atom and Molecular Physics and Optics
Condensed Matter Physics
DOI
10.1103/PhysRevB.99.224509