Questions tagged [defects]
For questions about modeling material defects (e.g. vacancies, interstitial/substitutional impurities, topological defects).
What are the tools available for point defects calculations? [closed]
It would be appreciated if you could explain one of the tools below (or another tool not listed), in the format used here (for example): What software will allow me to combine two images? What ...
What are some approaches to modeling charged point defects in materials?
From what I understand, one major issue in modeling charged point defects in materials is the existence of artificial interactions between charged defects and their periodic images. Even when using ...
How to start with structural defects in monolayer?
First of all, thank you for your help! You are so helpful every time. I would like to calculate the influence of the structural defects on the electronic structure in the HfS2 monolayer. With VESTA ...