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O: Fachverband Oberflächenphysik

O 39: Focussed session: Theory and computation of electronic structure: new frontiers III (jointly with HL, DS)

O 39.2: Vortrag

Mittwoch, 16. März 2011, 11:30–11:45, TRE Phy

Magnetic order of LaVO₃/SrVO₃ superlattices — •Cosima Schuster¹, Ulrike Lüders², Udo Schwingenschlögl³, and Raymond Fresard² — ¹Institut für Physik, Universität Augsburg, D-86135 Augsburg — ²Laboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, FR3095 Caen — ³KAUST, PCSE Division, P.O. Box 55455, Jeddah 21534, Saudi Arabia

While stable ferromagnetic ground states are predicted based on model calculations their experimental realizations are scarce. Experimental data obtained on LaVO₃[m]/SrVO₃[1] superlattices show that these systems remain magnetic above room temperature for particular values of m, in contrast to the solid solutions with the same composition. To clarify the magnetic and orbital order in these heterostructures, we perform electronic structure calculations based on density functional theory. First, we discuss the magnetic and orbital order of strained LaVO₃, for the c/a ratio of the heterostructure, where two types of ordering are nearly degenerate. While both g-type and c-type antiferromagnetic ordering within the LaVO₃ favour a non-magnetic interface in case of odd m and a ferromagnetic interface in case of even m, the orbital ordering perpendicular to the interface is different in both cases. A detailed discussion of the particular combinations of the magnetic and orbital order at the interface is given.