Questions tagged [fermi-energy]

Questions about or related to the Fermi energy.

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14
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3answers
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Determining Fermi energy in density functional theory

How is the Fermi energy determined in DFT calculations and how reliable are the obtained values? I know this is affected by the temperature and whether the material is an insulator/semiconductor/metal,...
5
votes
1answer
70 views

Fermi energy lower than valence band maximum?

I am trying to analyze the density of electronic states of a $\ce{TiO2}$ slab, but the result I got from VASP shows the fermi energy is lower than the valence band maximum (VBM) by a small energy ...