<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px">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.<div id="yui_3_16_0_1_1490800604148_27547"><span></span></div><div id="yui_3_16_0_1_1490800604148_27548"> </div><div class="signature" id="yui_3_16_0_1_1490800604148_27532"><div id="yui_3_16_0_1_1453821081256_6989"><i>******************************************************<br><span style="background-color:rgb(112, 172, 237);"><b>Nacir GUECHI</b></span><br></i></div><div id="yui_3_16_0_1_1453821081256_6985"><i id="yui_3_16_0_1_1490800604148_27531">Dr. Physique de la matière solide.</i></div><div id="yui_3_16_0_1_1453821081256_6981"><i>Enseignant-Chercheur à l'université du <a rel="nofollow" target="_blank" href="http://www.univ-medea.dz/fr/">Dr. Yahia FARES de Médéa</a>, Algeria (<cite class="_Rm">www.<b>univ-media</b>.dz</cite>).</i></div><div id="yui_3_16_0_1_1453821081256_6975"><i>Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)</i></div><div id="yui_3_16_0_1_1453821081256_7000"><i id="yui_3_16_0_1_1490800604148_27549"><a rel="nofollow" id="yui_3_16_0_1_1453821081256_6999" target="_blank" href="http://laboratoires.univ-setif.dz/L.E.S.I.M.S/">http://laboratoires.univ-setif.dz/L.E.S.I.M.S/</a></i></div></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: times new roman, new york, times, serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> Le Mercredi 29 mars 2017 13h06, Pascal Boulet <pascal.boulet@univ-amu.fr> a écrit :<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv6409841138"><div>Hello,<div><br clear="none"></div><div>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.</div><div><br clear="none"></div><div>Best regards</div><div>Pascal</div><div><br clear="none"><div>
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<br clear="none"><div><div>Le 28 mars 2017 à 10:24, <a rel="nofollow" shape="rect" ymailto="mailto:elsasab@alumni.uv.es" target="_blank" href="mailto:elsasab@alumni.uv.es">elsasab@alumni.uv.es</a> a écrit :</div><br class="yiv6409841138Apple-interchange-newline" clear="none"><blockquote type="cite">Dear Wien2k users,<br clear="none">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. <br clear="none">Best regards<br clear="none">Ana<br clear="none"><br clear="none"><span><Seebeck coefficient.docx></span>_______________________________________________<div class="yiv6409841138yqt1696356793" id="yiv6409841138yqtfd47855"><br clear="none">Wien mailing list<br clear="none"><a rel="nofollow" shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br clear="none">SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br clear="none"></div></blockquote></div><div class="yiv6409841138yqt1696356793" id="yiv6409841138yqtfd62894"><br clear="none"></div></div></div></div><div class="yqt1696356793" id="yqtfd10236">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none"></div><br><br></div> </div> </div> </div></div></body></html>