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  • Kramer, K. P.Universität Zürich,University of Zürich (author)

Band structure of overdoped cuprate superconductors: Density functional theory matching experiments

  • Article/chapterEnglish2019

Publisher, publication year, extent ...

  • 2019
  • electronicrdacarrier

Numbers

  • LIBRIS-ID:oai:research.chalmers.se:022409cd-e6a9-415e-b330-988f6a88e260
  • https://research.chalmers.se/publication/511353URI
  • https://research.chalmers.se/publication/511164URI
  • https://doi.org/10.1103/PhysRevB.99.224509DOI

Supplementary language notes

  • Language:English
  • Summary in:English

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  • Subject category:art swepub-publicationtype
  • Subject category:ref swepub-contenttype

Notes

  • 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.

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  • Horio, M.Universität Zürich,University of Zürich (author)
  • Tsirkin, S. S.Universität Zürich,University of Zürich (author)
  • Sassa, Yasmine,1981Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)sassa (author)
  • Hauser, K.Universität Zürich,University of Zürich (author)
  • Matt, C. E.Universität Zürich,University of Zürich,Paul Scherrer Institut (author)
  • Sutter, D.Universität Zürich,University of Zürich (author)
  • Chikina, A.Paul Scherrer Institut (author)
  • Schroter, N. B. M.Paul Scherrer Institut (author)
  • Krieger, J. A.Eidgenössische Technische Hochschule Zürich (ETH),Swiss Federal Institute of Technology in Zürich (ETH),Paul Scherrer Institut (author)
  • Schmitt, T.Paul Scherrer Institut (author)
  • Strocov, V. N.Paul Scherrer Institut (author)
  • Plumb, N. C.Paul Scherrer Institut (author)
  • Shi, M.Paul Scherrer Institut (author)
  • Pyon, S.University of Tokyo, Japan (author)
  • Takayama, T.University of Tokyo, Japan (author)
  • Takagi, H.University of Tokyo, Japan (author)
  • Adachi, T.Sophia University (author)
  • Ohgi, T.Tohoku University (author)
  • Kawamata, T.Tohoku University (author)
  • Koike, Y.Tohoku University (author)
  • Kondo, T.University of Tokyo, Japan (author)
  • Lipscombe, O. J.University of Bristol (author)
  • Hayden, S. M.University of Bristol (author)
  • Ishikado, M.Comprehensive Research Organization for Science and Society (CROSS) (author)
  • Eisaki, H.National Institute of Advanced Industrial Science and Technology (AIST) (author)
  • Neupert, T.Universität Zürich,University of Zürich (author)
  • Chang, J.Universität Zürich,University of Zürich (author)
  • Universität ZürichChalmers tekniska högskola (creator_code:org_t)

Related titles

  • In:Physical Review B99:222469-99692469-9950

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