[Wien] BoltzTraP : Problem

[Ali ALLAM]

Dear Wien2k users
I am PhD student
I work on wien2k and BoltzTraP codes
My problem is how to extract the value of the seebeck coefficient versus the 
Temperature
My input is :
WIEN0 0 0 0.00.814 0.0005 0.1 712CALC3BOLTZ0.151000. 50.-1HISTO
In the file case.trace, i obtain different value of fermi energy at different 
Temperatures and at different carrier concentrations
Thus, which seebeck coefficient i choose ? (the carrier concentartion varies at 
the same time with the fermi enegy and the temperature)
With my best regards
Ali ALLAMAix Marseille universityPhD - Physics of materialsMarseille 13013 - 
FRANCE  
 
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[Wien] BoltzTraP : Problem

[Ali ALLAM]

Dear Wien2k users
I am PhD student
I work on wien2k and BoltzTraP codes
My problem is how to extract the value of the seebeck coefficient versus the 
Temperature
My input is :
WIEN0 0 0 0.00.814 0.0005 0.1 712CALC3BOLTZ0.151000. 50.-1HISTO
In the file case.trace, i obtain different value of fermi energy at different 
Temperatures and at different carrier concentrations
Thus, which seebeck coefficient i choose ? (the carrier concentartion varies at 
the same time with the fermi enegy and the temperature)
With my best regards
Ali ALLAMAix Marseille universityPhD - Physics of materialsMarseille 13013 - 
FRANCE   
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[Wien] BoltzTraP : Problem

[Parker, David S.]

Ali, the thing to remember is that in a physical experiment the doping level is 
independent of temperature.  In semiconductors
The chemical potential is a function of temperature, and what you need to do is 
interpolate the data (in case.trace) at a fixed doping level, not at fixed 
chemical potential.  Good luck ? David Parker

From: Ali ALLAM mailto:ali.all...@hotmail.com>>
Reply-To: A users mailto:wien at 
zeus.theochem.tuwien.ac.at>>
List-Post: wien@zeus.theochem.tuwien.ac.at
Date: Monday, October 29, 2012 9:29 AM
To: A users mailto:wien at 
zeus.theochem.tuwien.ac.at>>
Subject: [Wien] BoltzTraP : Problem



Dear Wien2k users

I am PhD student

I work on wien2k and BoltzTraP codes

My problem is how to extract the value of the seebeck coefficient versus the 
Temperature

My input is :

WIEN
0 0 0 0.0
0.814 0.0005 0.1 712
CALC
3
BOLTZ
0.15
1000. 50.
-1
HISTO

In the file case.trace, i obtain different value of fermi energy at different 
Temperatures and at different carrier concentrations

Thus, which seebeck coefficient i choose ? (the carrier concentartion varies at 
the same time with the fermi enegy and the temperature)

With my best regards

Ali ALLAM
Aix Marseille university
PhD - Physics of materials
Marseille 13013 - FRANCE