How to calculate built-in electric potential in Janus 2D materials using quantum espresso?

M Munib Ul Hassan NOOR Ul Taqi @M-Munib-Ul-Hassan-Ul-Taqi

08 April 2023 0 10K Report

Hi everyone,

I am doing DFT study on Janus 2D materials using quantum espresso. These materials exhibit built-in electric field perpendicular to their surface which tune their properties. How this electric field can be calculated using quantum espresso? what should be the sequence of input files? I will be thankful if you can guide me or refer me a tutorial video.

Thanks

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