Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 18: Focus Session: Frontiers in Reducible Oxide Surface Science II

O 18.5: Vortrag

Montag, 12. März 2018, 16:45–17:00, HE 101

Mixed nano-oxides: microscopic mechanisms behind their structural and electronic characteristics — •Claudine Noguera, Jacek Goniakowski, and Ha-Linh T. Le — Institut des Nanosciences de Paris CNRS and Université Pierre et Marie Curie, Paris, France

Doped and especially mixed (ternary) oxides represent promising materials with many potential applications in spintronics, materials for energy and environment, etc. Indeed, combining two cations of different size and/or electronegativity is expected to allow modulating the structural and electronic properties of the resulting alloy. However, there are presently large gaps in our understanding of the formation and properties of such mixed-oxides, especially at the nanoscale.

In this context, considering the technological importance of titanium and other transition metal oxides, we have focused on mixed transition metal oxides of XYO3 stoichiometry, within two architectures displaying low dimensional effects. Relying on first principles simulations, we analyze and compare the electronic properties of Ti2O3/X2O3 heterostructures and TiXO3 honeycomb monolayers deposited on an Au(111) substrate (X=V, Cr, Fe) and we highlight the driving forces toward mixing.