[Wien] Calculation fo difference of Fermi energies between tantalum and mercury telluride

Amlan Ray amlan_ray2005 at yahoo.com
Sun Jun 9 14:49:57 CEST 2024


Dear Prof. Blaha,
I formed Slab structures for Ta and HgTe (attached .struct files) and ran WIEN2k 21 version. From the output (.scf files), I find that the work function for Ta and HgTe are similar. However, I am interested to know their difference of Fermi energies. I cannot determine the zero energy of the calculation in the two cases. I shall think that the Fermi energy of Ta (a metal) would be significantly higher than that of HgTe ( an insulator). Could you kindly help me in determining the difference of Fermi energies of Ta and HgTe? 
With best regards
Amlan RayVariable Energy Cyclotron CenterKolkata, India
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