Tutorial: Modelling Point Defects in Semiconductors with VASP (Audio Fix)

Citable DOI: 10.5281/zenodo.10981906

Reuploaded due to YouTube error in audio/video sync in final 30 mins; original video here:    • Tutorial: Understanding and Computati...  

*Now with bonus 25 minutes intro to defect structure searching and ShakeNBreak*

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...

See our open-access papers on modelling semiconductor defects here:
https://iopscience.iop.org/article/10...
https://doi.org/10.1021/acsenergylett...
ShakeNBreak: https://www.nature.com/articles/s4152...

Slides available here:
https://speakerdeck.com/kavanase/tuto...
https://speakerdeck.com/kavanase/shak...


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...
Metastable defects : https://doi.org/10.1039/D2FD00043A
Recombination at V_Cd in CdTe (case study): https://pubs.acs.org/doi/abs/10.1021/...