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 Computational ...  

*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: doped.readthedocs.io/en/latest/
ShakeNBreak: shakenbreak.readthedocs.io/en/latest/

See our open-access papers on modelling semiconductor defects here:
iopscience.iop.org/article/10.1088/1361-6528/abcf6…
doi.org/10.1021/acsenergylett.1c00380
ShakeNBreak: www.nature.com/articles/s41524-023-00973-1

Slides available here:
speakerdeck.com/kavanase/tutorial-understanding-an…
speakerdeck.com/kavanase/shakenbreak-identifying-g…


For other talks on YouTube, have a look at my channel!
For other research articles see:
bit.ly/3pBMxOG

Slides for my talks can be found here:
speakerdeck.com/kavanase

Other references:
Matter Preview of Defect Structure Searching: www.sciencedirect.com/science/article/pii/S2590238…
Metastable defects : doi.org/10.1039/D2FD00043A
Recombination at V_Cd in CdTe (case study): pubs.acs.org/doi/abs/10.1021/acsenergylett.1c00380