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Proposing Institution

Fakultät für Physik, theoretische Physik und CENIDE, Uni Duisburg-Essen
Project Manager

Prof. Dr. Rossitza Pentcheva
Lotharstr. 1 (ME123)
47057 Duisburg
Transition metal oxide interfaces host a remarkably rich electronic behavior distinct from the one of the bulk compounds, which opens perspectives for new electronics and spintronics devices as well as for energy conversion applications (e.g. water splitting, thermoelectrics). The objective of this project is to achieve a fundamental understanding of the phenomena arising at complex oxide surfaces and interfaces based on large scale material-specific density functional theory calculations. Building upon the insight obtained within the previous very successful funding period, we will explore further parameters that allow control of functionality in these systems. To this end, we will elucidate the role of the surface and interface termination as well as adsorbates and metal oxide overlayers to tune the electronic reconstruction at the interface. Finite size effects will be explored both in thin films and oxide superlattices to achieve a comprehensive picture of the underlying mechanisms for different electrostatic boundary conditions. A further aspect of research will be to explore electronic reconstruction mechanisms dependent on the crystallographic orientation and to establish its role in stabilizing exotic, possibly topologically nontrivial electronic phases. Last but not least, we intend to develop a detailed microscopic description of the interplay of strain, lattice distortion and collective electronic instabilities on the thermoelectric properties of metal-oxide films and heterostructures.

Impressum, Conny Wendler