Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 8: Low-Dimensional Systems: Oxide Hetero-Interfaces

TT 8.9: Talk

Monday, March 16, 2015, 11:45–12:00, H 3010

LaAlO₃–LaNiO₃ (111) interfaces: a DFT+DMFT study — •Oleg Janson and Karsten Held — Institut für Festkörperphysik, Technische Universität Wien, Österreich

As a peculiarity of (111) perovskite interfaces, the e_g electrons can retain their degeneracy and facilitate the emergence of topological phases. From the materials perspective, LaAlO₃–LaNiO₃ (111) interfaces based on Ni³⁺ are among the most promising candidates. A recent DFT+U study predicted a sizable orbital polarization for 1/1 (double perovskite) interfaces and a multiferroic behavior for Ni-bilayers [2]. Here, we further explore the properties of LaAlO₃-LaNiO₃ (111) interfaces by considering purely local as well as cooperative Jahn-Teller distortions and taking dynamical electronic correlations into account. Possible terminations and orbital reconstructions of these highly polar surfaces will be discussed. This work has been supported in part by European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC through grant agreement n. 306447.

[1] A. Rüegg and G. A. Fiete, Phys. Rev. B 84, 201103 (2011).

[2] D. Doennig, W. E. Pickett and R. Pentcheva, Phys. Rev. B 89, 121110 (2014).