Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2015-09-01
Print Publication Date2015-11
Permanent link to this recordhttp://hdl.handle.net/10754/577337
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AbstractWe 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.
CitationTrends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses 2015, 5:13762 Scientific Reports
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