Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
Permanent link to this recordhttp://hdl.handle.net/10754/315754
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AbstractThe spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.
CitationNazir S, Schwingenschlögl U (2013) Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures. Appl Phys Lett 102: 141604. doi:10.1063/1.4801514.
JournalApplied Physics Letters