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O: Fachverband Oberflächenphysik

O 74: Surface and Interface Magnetism II (O jointly with MA)

O 74.2: Vortrag

Donnerstag, 3. April 2014, 10:45–11:00, WIL C107

Calculation of magnetoelectric coupling at Fe/BaTiO₃ and Fe/SrTiO₃ interfaces — •Hannes Behrend, Brahim Belhadji, and Eckhard Pehlke — Institut für Theoretische Physik und Astrophysik, Universität Kiel, 24098 Kiel, Germany

The magnetoelectric coupling effect in composites built out of piezoelectric and ferromagnetic materials has attracted great interest, e.g for sensor applications. The objective of our work is to calculate the magnetoelectric coupling that occurs locally, on an atomic scale, at the Fe/BaTiO₃ and Fe/SrTiO₃ interfaces by means of spin-density functional calculations. The program VASP by Kresse, Hafner et al. from the University Wien is applied. The magnetization density and magnetic moment induced by an external electric field are calculated for electric field strengths chosen sufficiently small so that the system stays in the linear response regime. Currently most of the results refer to frozen-in atomic positions,with additional first results for atomic geometries relaxed under the influence of the electric field. A detailed comparison of the Fe/BaTiO₃ and Fe/SrTiO₃ interfaces will be given. This will be complemented by a calculation of the magnetoelectric coupling coefficient for Fe/Cu layers, for which we have observed an unexpectedly sensitive dependence of the result on the thickness of the Fe slab. The spacial variation of the induced magnetization density as opposed to the induced electronic charge density will be addressed.