Copper K and oxygen K resonant inelastic X-ray scattering of one-dimensional cuprates

Kozo Okada, Akio Kotani

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Resonant inelastic X-ray scattering (RIXS) using the Cu K shell of one-dimensional cuprates is compared with that using the O K shell on the basis of numerically-exact diagonalization calculations applied for a finite-size cluster model. Particular attention is paid to the effects of Cu 3d orbital degeneracy on the Cu K RIXS and the incident photon energy dependence of the Cu K RIXS. Inclusion of the Cu 3d(3z 2 - r 2) orbital results in the dd excitation in the Cu K RIXS, which is in accordance with the O K RIXS. However the excitation mechanism differs for the Cu K RIXS and O K RIXS. The dd excitation in the Cu K RIXS is caused through the mixing between the Zhang-Rice singlet (ZRS) and Cu 3d(3z 2 - r 2) bands, while it is mainly caused by the optical dipole transition process in the case of O K RIXS. Moreover, mixing between the ZRS and Cu 3d(3z 2 - r 2) bands induces new structures, whose binding energy is higher than that of the structure due to electron-hole pair excitations from the ZRS band to the upper Hubbard band. The angle-resolved photoemission calculation confirms that the mixing between the Cu 3d(3z 2 - r 2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.

Original languageEnglish
Article number044702
JournalJournal of the Physical Society of Japan
Volume75
Issue number4
DOIs
Publication statusPublished - Apr 2006

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cuprates
copper
oxygen
scattering
rice
x rays
excitation
orbitals
Brillouin zones
photoelectric emission
binding energy
inclusions
dipoles
crystal structure
photons

Keywords

  • Angle-resolved photoemission
  • Charge transfer
  • Cuprate
  • dp model
  • Electron correlation
  • Hubbard band
  • RIXS
  • XAS
  • Zhang-Rice singlet

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Copper K and oxygen K resonant inelastic X-ray scattering of one-dimensional cuprates. / Okada, Kozo; Kotani, Akio.

In: Journal of the Physical Society of Japan, Vol. 75, No. 4, 044702, 04.2006.

Research output: Contribution to journalArticle

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AB - Resonant inelastic X-ray scattering (RIXS) using the Cu K shell of one-dimensional cuprates is compared with that using the O K shell on the basis of numerically-exact diagonalization calculations applied for a finite-size cluster model. Particular attention is paid to the effects of Cu 3d orbital degeneracy on the Cu K RIXS and the incident photon energy dependence of the Cu K RIXS. Inclusion of the Cu 3d(3z 2 - r 2) orbital results in the dd excitation in the Cu K RIXS, which is in accordance with the O K RIXS. However the excitation mechanism differs for the Cu K RIXS and O K RIXS. The dd excitation in the Cu K RIXS is caused through the mixing between the Zhang-Rice singlet (ZRS) and Cu 3d(3z 2 - r 2) bands, while it is mainly caused by the optical dipole transition process in the case of O K RIXS. Moreover, mixing between the ZRS and Cu 3d(3z 2 - r 2) bands induces new structures, whose binding energy is higher than that of the structure due to electron-hole pair excitations from the ZRS band to the upper Hubbard band. The angle-resolved photoemission calculation confirms that the mixing between the Cu 3d(3z 2 - r 2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.

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