My Community

Deal all,

I am studying the oxidation and hydration of the Ga-polar and N-polar surfaces of GaN.

the results for the oxidation and hydration of N-polar GaN are fine (band-gap opening of the metallic surface, work function, fermi level, etc)

however, for the Ga-polar system, I am getting a fermi energy that is well above the conduction band minimum (VBM = -1.8 eV, CBM= -0.4 eV, and Ef = 3.33 eV), I am wondering if this calculation is correct/physically meaningful ?

for each study the other side of the slab is passivated with pseudo-hydrogen.

Thank you for your help,

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP