Band structure of overdoped cuprate superconductors: Density functional theory matching experiments
Artikel i vetenskaplig tidskrift, 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.

Författare

K. P. Kramer

Universität Zürich

M. Horio

Universität Zürich

S. S. Tsirkin

Universität Zürich

Yasmine Sassa

Chalmers, Fysik, Materialfysik

K. Hauser

Universität Zürich

C. E. Matt

Universität Zürich

Paul Scherrer Institut

D. Sutter

Universität Zürich

A. Chikina

Paul Scherrer Institut

N. B. M. Schroter

Paul Scherrer Institut

J. A. Krieger

Eidgenössische Technische Hochschule 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

T. Neupert

Universität Zürich

J. Chang

Universität Zürich

PHYSICAL REVIEW B

2469-9950 (ISSN) 2469-9969 (eISSN)

Vol. 99 22 224509

Ämneskategorier

Oorganisk kemi

Atom- och molekylfysik och optik

Den kondenserade materiens fysik

DOI

10.1103/PhysRevB.99.224509

Mer information

Senast uppdaterat

2020-08-28