Screening in YBa2 Cu3 O7-δ at large wave vectors

Simo Huotari, J. Aleksi Soininen, G. Vankó, Giulio Monaco, Valerio Olevano

Research output: Contribution to journalArticle

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Abstract

We present experimental inelastic x-ray scattering (IXS) and ab initio time-dependent density-functional-theory (TDDFT) studies of YBa 2Cu3 O7-δ. The response of the low-lying Ba5p and Y4p core electrons is shown to interact strongly with the Cu3d and O2p excitations, with important consequences on screening. The agreement between IXS and TDDFT results is excellent, apart from a new type of excitations, mainly related to loosely bound Ba electrons and significantly affected by correlations. This points to correlation mechanisms not fully described by TDDFT that might have a role in giving rise to antiscreening.

Original languageEnglish
Article number064514
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume82
Issue number6
DOIs
Publication statusPublished - Aug 18 2010

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Density functional theory
Screening
screening
x ray scattering
density functional theory
inelastic scattering
Scattering
X rays
Electrons
excitation
electrons

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Screening in YBa2 Cu3 O7-δ at large wave vectors. / Huotari, Simo; Soininen, J. Aleksi; Vankó, G.; Monaco, Giulio; Olevano, Valerio.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 82, No. 6, 064514, 18.08.2010.

Research output: Contribution to journalArticle

Huotari, Simo ; Soininen, J. Aleksi ; Vankó, G. ; Monaco, Giulio ; Olevano, Valerio. / Screening in YBa2 Cu3 O7-δ at large wave vectors. In: Physical Review B - Condensed Matter and Materials Physics. 2010 ; Vol. 82, No. 6.
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