Questions tagged [defects]
For questions about modeling material defects (e.g. vacancies, interstitial/substitutional impurities, topological defects).
3
questions
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votes
0
answers
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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 ...
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18
votes
1
answer
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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 ...
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votes
1
answer
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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 ...
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