[Wien] Discontinuity in Seebeck coefficient

[Nacir GUECHI]

yes, i think its correct but you should fix your zero chemical potential, because in doped materials the Fermi level moves into the band gap. ******************************************************
Nacir GUECHI
Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa,  Algeria (www.univ-media.dz).Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)http://laboratoires.univ-setif.dz/L.E.S.I.M.S/ 

    Le Mercredi 29 mars 2017 13h06, Pascal Boulet <pascal.boulet at univ-amu.fr> a écrit :
 

 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 regardsPascal
-
Pascal Boulet - MCF HDR, Resp. L2 MPCI - DEPARTEMENT CHIMIEAix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 MarseilleTél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50Site : 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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