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L. Linhart, M. Paur, V. Smejkal, J. Burgdörfer, T. Müller, F. Libisch:
"Excitonic effects in strained TMDs and defects in graphene - a tight-binding approach";
Poster: International Winterschool on Electronic Properties of Novel Materials (IWEPNM) 2018, Kichberg in Tirol; 04-17-2018 - 04-24-2018.

Strain engineering offers a wide playground in the field of two-dimensional
materials with possible applications in future electronic devices.
Depending on
strength, orientation and local variation strain alters the materials properties and
leads to interesting phenomena such as pseudo-magnetic fields 1 or single-photon
emitters 2 .
We develop a general simulation approach to model non-uniform strain in two-
dimensional materials.
Using a multi-scale approach including DFT, Wannier
functions and tight-binding calculations we are able to calculate - with reasonable
accuracy - various physical properties including excitonic binding-energies for
system sizes up to 10 5 atoms. This multi-scale approach allows to include local
defects accurately and efficiently 3 . We present calculations performed on strained
WSe 2 and discuss preliminary results.