Defining the chemical potential value

General discussion around the EPW software

Moderator: hlee

Post Reply
Azhar
Posts: 1
Joined: Sat Jul 29, 2023 5:47 am
Affiliation: University of Manchester

Defining the chemical potential value

Post by Azhar »

Dear all,

I am new to using the EPW program and would like to inquire about the correct chemical potential when performing EPW calculations. I attempted to compute the spectral function of 2D material NbS2 at different temperatures by setting the Fermi energy in the input file. However, I noticed that the electron spectral function appears to split as the temperature increases, and this splitting occurs below (approximately 0.2 eV) the given Fermi level. How can I determine the correct chemical potential for the different temperatures? Can I assume that the splitting location represents the correct position of the chemical potential position?

Here I attach also the illustration: https://www.dropbox.com/s/rm1i8qoyxh37d ... K.png?dl=0

Thank you very much in advance.

With regards,
Azhar
UoM, UK

Post Reply