Thermodynamic Stability Via Energy Convex Hull Construction?

20 May 2021 1 5K Report

I have investigated heterostructure for lLIBs; According to my AIMD run, it is thermodynamically stable. Further, I would like to check their thermodynamic stability with formation energy combined with the convex hull method. I need help from the expert, How to get the convex hull energy for my heterostructure?

Looking forward to hearing from the generous scientific community. I will be thankful for your time and considerations.

Your Sincere,

Nisar.

Parrydeep Kaur Sachdeva

Hello Nisar Muhammad

Have you been able to obtain the convex hull for the heterostructure?

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