Electronic Reconstruction in (LaVO3 ) m /SrVO3 ( m = 5, 6) Superlattices

Qingqing Dai, Ulrike Lüders, Raymond Frésard, Ulrich Eckern, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The (LaV3+O3)m/SrV4+O3 (m = 5, 6) superlattices are investigated by first principles calculations. While bulk LaVO3 is a C-type antiferromagnetic semiconductor and bulk SrVO3 is a paramagnetic metal, semiconducting A-type antiferromagnetic states for both superlattices are found due to epitaxial strain. At the interfaces, however, the V spins couple antiferromagnetically for m = 5 and ferromagnetically for m = 6 (m-dependence of the magnetization). Electronic reconstruction in form of charge ordering is predicted to occur with V3+ and V4+ states arranged in a checkerboard pattern on both sides of the SrO layer. As compared to bulk LaVO3, the presence of V4+ ions introduces in-gap states that strongly reduce the bandgap and influence the orbital occupation and ordering.
Original languageEnglish (US)
Pages (from-to)1701169
JournalAdvanced Materials Interfaces
Volume5
Issue number12
DOIs
StatePublished - May 4 2018

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