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DF: Fachverband Dielektrische Festkörper

DF 2: Multiferroics I (jointly with MA, DS, KR, TT)

DF 2.3: Vortrag

Montag, 26. März 2012, 10:15–10:30, EB 301

FeO at Iron/Oxide interfaces — •Andrea Neroni, Daniel Wortmann, Ersoy Sasioglu, Stefan Blügel, and Marjana Ležaić — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

We present density-functional theory (DFT) based first-principles calculations of tunneling and magnetoconductance properties of nanoferronic devices consisting of oxide barriers between iron contacts. Several experimental works have indicated the presence of an iron-oxide layer at the contacts of this barrier, that can significantly alter the tunneling properties of the junction. The effect of this layer is still unclear. From the theoretical point of view, one unexplored point are the electron correlations in the single FeO layer at the interface. We account for these correlations with a Hubbard U parameter determined by the constrained random phase approximation (cRPA) [1] and calculate the change of the tunneling magnetoresistance ratio under this condition, using the full-potential linearized augmented plane wave (FLAPW) method FLEUR [2]. The electronic transport properties of nanoferronic junctions have been investigated using an embedded Green-function approach [3].
Work is supported by Helmholtz Young Investigators Group Program VH-NG-409 .
E. Şaşioğlu, C. Friedrich, and S. Blügel, PRB 83, 121101(R) (2011)
www.flapw.de
D. Wortmann, H. Ishida, and S. Blügel. PRB 66, 075113 (2002)