Speaker
Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)
Yes
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
Yes
Apply to be<br> considered for a student <br> award (Yes / No)?
Yes
Main supervisor (name and email)<br>and his / her institution
Daniel.Joubert2@wits.ac.za
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Abstract content <br> (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>
Transition metal di-chalcogenide (TMDC) monolayer have potential applications
in electronic and optical devices. Work on these atomically thin semiconductors is an exciting
emerging field of research. In this research the electronic, photo-emission and photo-absorption
properties of monolayer ZrS 2 , ZrSe 2 , HfS 2 and HfSe 2 have been investigated using density
functional theory (DFT) and many body perturbation theory at the level of the partially
self consistent GW 0 approximation. Solution of the Bethe-Salpeter equation (BSE) in the
Tamm-Dancoff approximation was used to investigate the optical properties of these monolayer
TMDCs. The structures were found to be semiconductor with band gaps within the visible
range of the spectrum. Exciton binding energies were estimated from a comparison of the GW
and BSE results.
