Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses.
We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO3)n/(SrTiO3)m (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO3, strongly distorted O octahedra are observed in the SrTiO3 layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO3 and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO3 and SrTiO3 layer thicknesses originates from modifications of the Ti dxy states.
KAUST, PSE Division, Thuwal 23955-6900, Kingdom of Saudi Arabia.
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J
Jilili
KAUST, PSE Division, Thuwal 23955-6900, Kingdom of Saudi Arabia.
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F
Cossu
KAUST, PSE Division, Thuwal 23955-6900, Kingdom of Saudi Arabia.
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Schwingenschlögl