Localized electronic vacancy level and its effect on the properties of doped manganites

Oxygen vacancies are common to most metal oxides and usually play a crucial role in determining the properties of the host material. In this work, we perform ab initio calculations to study the influence of vacancies in doped manganites La(1−x)SrxMnO3, varying both the vacancy concentration and the chemical composition within the ferromagnetic-metallic range (0.2
Work at ICN2 was funded by FEDER/Ministerio de Ciencia e Innovación – Agencia Estatal de Investigación (grant PGC2018-096955-B-C43), Generalitat de Catalunya (2017SGR1506), and the EU-H2020 programme (654360 and 824143) under the NFFA-Europe Transnational Access Activity and the EU MaX Center of Excellence. ICN2 is also supported by the Severo Ochoa Program (SEV--2013--0295) and the CERCA Program of Generalitat de Catalunya. D. J. and V. F. acknowledge support from CONICET (PIP 00020-2019) and ANPCyT (PICT1857), Argentina. D. J. acknowledges CONICET for a doctoral fellowship.