Re: [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  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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Re: [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
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Site : 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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> SEARCH the MAILING-LIST at:  
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

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Re: [Wien] Discontinuity in Seebeck coefficient

[Lyudmila Dobysheva]

28.03.2017 12:24, elsa...@alumni.uv.es wrote:
> I was calculating the transport properties for 2D material.

Nobody answers your letter because, IMHO, either nobody knows (?), or 
nobody understands the question (me, for example). No use to repeat, try 
and make it clearer.


> In my results when I represented the seebeck coeffecient

I do not know what is seebeck coeffecient.


asa function of the chemical potential,


I do not know how you did this.


I found discontinutyin the seebeck coefficient as I have

> many zero values for it at different value of the chemical
> potentials.

I do not see this at your picture, there is a pure unknown line, and 
it's not clear what are the values obtained.



I don't know  if this behaviour is normal


I don't know also.

> or may be I have a problem in the calculation.

May be, there is no information in your letter.

Best wishes
  Lyudmila Dobysheva
--
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
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Tel.:7(3412) 432045(office), 722529(Fax)
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[Wien] Discontinuity in Seebeck coefficient

[elsasab]

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



Seebeck coefficient.docx
Description: Binary data
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Re: [Wien] Discontinuity in Seebeck coefficient

[Nacir GUECHI]

Hi. 
I think that behavior refers to no doping case, i.e: (limit between doped and 
undoped cases).
 **
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 Lundi 27 mars 2017 13h51, "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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