Tutorial: Understanding and Computational Modelling of Defects in Semiconductors (with VASP)

**This video has been reuploaded at https://youtu.be/FWz7nm9qoNg due to a YouTube error in audio/video sync for the final 30 mins** Tutorial talk on understanding and computationally modelling defects in semiconductors (using plane wave DFT with VASP). Given jointly with Joe Willis at the Scanlon Materials Theory Group meeting(s). doped: https://doped.readthedocs.io/en/latest/ ShakeNBreak: https://shakenbreak.readthedocs.io/en/latest/ See our open-access papers on modelling semiconductor defects here: https://iopscience.iop.org/article/10.1088/1361-6528/abcf6d https://doi.org/10.1021/acsenergylett.1c00380 ShakeNBreak: https://www.nature.com/articles/s41524-023-00973-1 Slides available here: https://speakerdeck.com/kavanase/tutorial-understanding-and-modelling-defects-in-semiconductors-with-vasp https://speakerdeck.com/kavanase/shakenbreak-identifying-ground-state-defect-structures-smtg-group-meeting-sept-2022 For other talks on YouTube, have a look at my channel! For other research articles see: https://bit.ly/3pBMxOG Slides for my talks can be found here: https://speakerdeck.com/kavanase Other references: Matter Preview of Defect Structure Searching: https://www.sciencedirect.com/science/article/pii/S2590238521002733 Metastable defects : https://doi.org/10.1039/D2FD00043A Recombination at V_Cd in CdTe (case study): https://pubs.acs.org/doi/abs/10.1021/acsenergylett.1c00380