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.bou...@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.bou...@univ-amu.fr
Le 28 mars 2017 à 10:24, elsa...@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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