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Mobility calculation for small band gap semiconductor

Posted: Mon Sep 30, 2019 8:23 pm
by umklapp
Dear all,
To calculate the carrier mobility for small band gap semiconductors with free carriers (1E20), I tried a few scissor-shifts to increase the gap. However, I am always getting the following errors, for example,

Valence band maximum = 7.468149 eV
Conduction band minimum = 8.055196 eV
Warning: too many iterations in bisection
Ef = 0.000000
Mobility VB Fermi level 0.000000 eV

Valence band maximum = 7.468149 eV
Conduction band minimum = 8.055196 eV
Warning: too many iterations in bisection
Ef = 0.000000
Mobility CB Fermi level 0.000000 eV


Any suggestions to avoid this error are greatly appreciated!
Best,
Sai

Re: Mobility calculation for small band gap semiconductor

Posted: Tue Oct 01, 2019 1:41 pm
by roxana
Hi,

If you know where the Fermi level should be located you can provided in the input file through the flag fermi_energy.

Best,
Roxana