Hanka Honsejková defended her bachelor thesis, congratulations!
Topic: Visualization of excitonic wave functions for two-dimensional MXene material.
Abstract: In this thesis I deal with calculations using quantum-mechanical programs, such as Quantum Espresso and Yambo, to obtain optical properties of materials, including excitonic effects, thus using the Bethe-Salpeter equation. From these results, I then plotted the optical spectra of the materials and the wave functions of their first bright excitons. Specifically, I dealt with 3D and 2D hexagonal boron nitride, which served as a model example for tuning the method. Then, in terms of excitonic wave functions, new material from the MXene family, Sc2C(OH)2, thanks to which this thesis is a contribution to the future research. I was able to replicate the results from the article by Aggoune et al. 2018 cited in the references and in the case of MXenes I found out about static screening of the Coulomb interaction of the exciton caused by atoms of oxygen.