[Wien] Discontinuity in Seebeck coefficient

[Pascal Boulet]

Hello,

If I understand correctly, this is not a discontinuity and the result is correct. When the chemical potential is in the valence band (p-doping) S is positive (transport by holes). When the chemical potential is in the conduction band (n-doping) S is negative (transport by electrons). In between S must be zero somewhere. « Where » is in the band gap, where there is no carriers.

Best regards
Pascal

-
Pascal Boulet - MCF HDR, Resp. L2 MPCI - DEPARTEMENT CHIMIE
Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 Marseille
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Site : http://madirel.univ-amu.fr/pages_web_BOULET_PASCAL/annuaire - Email : pascal.boulet at univ-amu.fr






Le 28 mars 2017 à 10:24, elsasab at alumni.uv.es a écrit :

> Dear Wien2k users,
> I was calculating the transport properties for 2D material. In my results when I represented the seebeck coeffecient as a function of the chemical potential, I found discontinuty in the seebeck coefficient as I have many zero values for it at different value of the chemical potentials. I don't know if this behaviour is normal or may be I have a problem in the calculation. I attached in this message the shape of the curve for the case to be able to see it. 
> Best regards
> Ana
> 
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