Subsequent projects

PD Dr. Rossitza Pentcheva
Ludwig-Maximilians-University of Munich
Fakultät für Geowissenschaften -
Geo- und Umweltwissenschaft - Kristallographie

Prof. Dr. Warren E. Pickett
University of California, Davis
Department of Physics

Computational Design of Topological Behavior in Digital Oxide Heterostructures from First Principles

In recent years, topological insulators (TI) with their protected edge states, and atomic layer-by-layer design of oxide interfaces with several unexpected and exotic electronic phases, have been two areas of great excitement and intense research. So far, the materials classes in these two areas of study have been largely disjoint, with most of the research on TIs concentrating on binary semiconductor phases with strong spin‐orbit coupling. Building on our successful research in the area of oxide interfaces, we aim to explore design principles for topological behavior in metal oxide nano¬structures, based on density functional theory calculations, also including effects of strong electronic correlation. Through systematic variation of structural patterns and chemical composition we aim to establish microscopic relationships between structure, electronic concentration, and electronic properties, and thereby gain fundamental understanding of their role of in the emergence of unusual electronic and magnetic phases.

Primary project: Computational Design of Complex Oxide Heterostructures as New Materials


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