First-principles studies of electronic and transport properties of one-dimensional edge states of nano-structured topological insulators

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This project will provide electronic and transport properties of the edge channels mainly of two-dimensional topological insulators (TIs), topological crystalline insulators and quantum anomalous Hall insulators from first principles calculations. Being material specific, density functional theory allows us to investigate e.g. interfaces between TIs and substrates that may be magnetic or nonmagnetic, insulating of metallic, that are ideal or possess step edges, stacking faults or defects. Similarly, the edges of the TI will be studied in ideal and realistic configurations showing different terminations, reconstructions etc. Applying techniques for predicting ballistic transport, we would like to link the experimentally accessible data on structure and electronic structure to the measurements of edge conduction. Promising materials, identified in the first funding period, will be in the focus as well as new structures explored by our experimental partners.