Regensburg 2016 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 17: Low-Dimensional Systems: Oxide Hetero-Interfaces

TT 17.7: Vortrag

Montag, 7. März 2016, 16:45–17:00, H22

Interplay of oxygen vacancies and electronic correlations in SrVO₃ — •Steffen Backes¹, Aaram J. Kim¹, Frank Lechermann², Harald O. Jeschke¹, Marcelo J. Rozenberg³, Andres F. Santander Syro⁴, and Roser Valenti¹ — ¹Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Str.1, 60438 Frankfurt am Main, Germany — ²Institut für Theoretische Physik, Universität Hamburg, Jungiusstrasse 9, 20355 Hamburg, Germany — ³Laboratoire de Physique des Solides, Université Paris-Sud, Bâtiment 510, 91405 Orsay, France — ⁴CSNSM, Université Paris-Sud and CNRS/IN2P3, Bâtiments 104 et 108, 91405 Orsay cedex, France

We investigate the role of oxygen vacancies in SrVO₃ within LDA+DMFT (density functional theory combined with dynamical mean-field theory). We show that, in addition to the usual t_2g lower Hubbard band, oxygen vacancies are responsible for an additional peak around −1 eV of V 3d_z² orbital character, which is not present in the bulk system without vacancies. We discuss our results in the light of recent angle-resolved photoemission (ARPES) experiments.