Dear Colleagues,
I'm relatively new to VASP and actually to solid state physics calculations. Therefore, I need your help.
I'm trying to compare the Fermi energies of a p-type doped silicon nanowire to the one of bulk crystalline silicon. As recommended in the forum, I've added the VASP results "E-Fermi" and "alpha+bet".
Looking at different doping rates, my results seem to make sense (always around -4.5eV). Performing the same calculation for bulk silicon, however, I find about -5.9eV.
This does not seem to make sense for a p-type doped semiconductor, does it? Did I do something wrong? Or does it simply not make sense to compare VASP results for one and three dimensions?
Many thanks for any hint in advance!
Cheers,
Leo
Fermi energy in 1D & 3D
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leonardo
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Fermi energy in 1D & 3D
Last edited by leonardo on Mon Jun 22, 2009 9:32 am, edited 1 time in total.
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panda
Fermi energy in 1D & 3D
Not enough info for anyone to help you. Please post INCAR directives, k-space mesh, space group, which potentials you have used, etc. I do not understand what you mean by one and three dimensions, please clarify.
Last edited by panda on Tue Jul 07, 2009 4:44 am, edited 1 time in total.