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Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2010

Screening in YBa2Cu3O7−δ at large wave vectors

Résumé

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.

Dates et versions

hal-00960162 , version 1 (17-03-2014)

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Simo Huotari, J. Aleksi Soininen, György Vankó, Giulio Monaco, Valerio Olevano. Screening in YBa2Cu3O7−δ at large wave vectors. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 82 (6), pp.064514. ⟨10.1103/PhysRevB.82.064514⟩. ⟨hal-00960162⟩

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