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Electronic Reconstruction in (LaVO 3 ) m /SrVO 3 ( m = 5, 6) Superlattices
Author(s) -
Dai Qingqing,
Lüders Ulrike,
Frésard Raymond,
Eckern Ulrich,
Schwingenschlögl Udo
Publication year - 2018
Publication title -
advanced materials interfaces
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.671
H-Index - 65
ISSN - 2196-7350
DOI - 10.1002/admi.201701169
Subject(s) - antiferromagnetism , superlattice , condensed matter physics , materials science , spins , band gap , magnetization , paramagnetism , spin (aerodynamics) , superstructure , electronic structure , semiconductor , physics , magnetic field , quantum mechanics , optoelectronics , thermodynamics
The (LaV 3+ O 3 ) m /SrV 4+ O 3 ( m = 5, 6) superlattices are investigated by first principles calculations. While bulk LaVO 3 is a C‐type antiferromagnetic semiconductor and bulk SrVO 3 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 V 3+ and V 4+ states arranged in a checkerboard pattern on both sides of the SrO layer. As compared to bulk LaVO 3 , the presence of V 4+ ions introduces in‐gap states that strongly reduce the bandgap and influence the orbital occupation and ordering.