František Karlický’s student Miroslav Kolos defended his dissertation thesis, congratulations!!!
Topic: Computer modeling of two-dimensional binary semiconductors properties using many-body methods.
Abstract: Two-dimensional materials are very perspective for modern devices because of their exceptional properties, whether in pure form or heterostructures. However, practical preparation is very complicated, and it is essential to know what properties we can expect of such material. Computer modeling using many-body methods can provide reliable predictions of electronic and optical properties of 2D materials. To obtain precise properties, careful control of the used methods is crucial, especially in technical settings. Otherwise, biased results may be achieved. This dissertation thesis presents the direct comparison of calculated electronic and optical properties using many-body methods (GW and Bethe-Salpeter equation (BSE)) with experimental results for bulk hexagonal boron nitride, supported by a careful convergence of properties to technical parameters of these many-body methods. Subsequently, the same techniques are used for obtaining the electronic and optical properties of ten two-dimensional materials (hexagonal boron nitride analogs). Finally, one of these materials is treated including temperature effects. Considering such effects is then discussed as the next step for accurate realistic modeling of electronic and optical properties of novel 2D materials.