Electronic Reconstruction in (LaVO3 ) m /SrVO3 ( m = 5, 6) Superlattices
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2018-05-04Online Publication Date
2018-05-04Print Publication Date
2018-06Permanent link to this record
http://hdl.handle.net/10754/627845
Metadata
Show full item recordAbstract
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.Citation
Dai Q, Lüders U, Frésard R, Eckern U, Schwingenschlögl U (2018) Electronic Reconstruction in (LaVO3 ) m /SrVO3 ( m = 5, 6) Superlattices. Advanced Materials Interfaces: 1701169. Available: http://dx.doi.org/10.1002/admi.201701169.Sponsors
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). It was also supported by the German Science Foundation (DFG) through TRR 80.Publisher
WileyJournal
Advanced Materials InterfacesAdditional Links
https://onlinelibrary.wiley.com/doi/full/10.1002/admi.201701169https://opus.bibliothek.uni-augsburg.de/opus4/files/41819/41819.pdf
ae974a485f413a2113503eed53cd6c53
10.1002/admi.201701169