Screening in YBCO at large wave vectors

We present experimental inelastic x-ray scattering (IXS) and ab initio time-dependent density-functional-theory (TDDFT) studies of YBa2Cu3O7-{\delta}. The response of the low-lying Ba 5p and Y 4p core electrons is shown to interact strongly with the Cu 3d and O 2p excitations, with important consequ...

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Bibliographic Details
Published in:arXiv.org 2010-11
Main Authors: Huotari, Simo, Soininen, J Aleksi, Vankó, György, Monaco, Giulio, Olevano, Valerio
Format: Article
Language:English
Subjects:
Electrons
Excitation
Inelastic scattering
Screening
Time dependence
X-ray scattering
YBCO superconductors
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Summary:We present experimental inelastic x-ray scattering (IXS) and ab initio time-dependent density-functional-theory (TDDFT) studies of YBa2Cu3O7-{\delta}. The response of the low-lying Ba 5p and Y 4p core electrons is shown to interact strongly with the Cu 3d and O 2p 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.
ISSN:2331-8422
DOI:10.48550/arxiv.1011.1436