Defining the chemical potential value
Posted: Sat Jul 29, 2023 6:20 am
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
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