Doctoral College TU-D Unravelling advanced 2D materials
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Lukas Linhart (associated)

Modeling transport and optical properties of 2D materials - a
multiscale approach
(Supervision: Florian Libisch)

Short bio: After two years at ETH Zürich and one year at TU Wien, Lukas received his BSc in Technical Physics at TU Wien in 2014 and and his MSc in 2016. During his master studies he already focused on solid
state physics, especially on two dimensional materials. In his MSc thesis he investigated the influence of defects on transport in graphene.

Summary of the PhD project: Edges and defects in two dimensional materials strongly alter material properties, critically affecting applications. An in-depth understanding of their influence is therefore of great interest. In my PhD project i try to understand these influences by modeling these materials and their defects via an interplay of different methods, namely DFT and Tight-binding. This allows for an accurate defect description while larger geometries are still computationally accessible. The aim of the work is to explicitly calculate some especially interesting cases (e.g. line defects in graphene, single photon emitters in WSe2 and similar TMDs and the transmission drop due to oxidation in black-phosphorous) and to develop new techniques for multiscale approaches.

Thoughts on TU-D: Having a large group of professors and students from different fields with very different backgrounds in an ongoing exchange really alters the research speed and completeness. As a physicist having direct access to experts on numerical methods from the maths faculty and
to experimentalists from the faculty of electronics does help a lot. It is also great fun to work in a group of highly motivated PhD students. Interdisciplinarity at its best!