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Mobility calculation for small band gap semiconductor 
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Joined: Mon Jan 21, 2019 3:53 am
Posts: 2
University: Univ. of California
Post Mobility calculation for small band gap semiconductor
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


Mon Sep 30, 2019 8:23 pm
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Joined: Fri Jan 22, 2016 6:48 pm
Posts: 144
University: SUNY-Binghamton
Post Re: Mobility calculation for small band gap semiconductor
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

_________________
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
PO Box 6000
Binghamton, NY 13902-6000


Tue Oct 01, 2019 1:41 pm
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