Hi Nileema,
here is a good starting point for m*:
https://www.mail-archive.com/search?q=effective+mass&l=wien%40zeus.theochem.tuwien.ac.at
There will be very soon a possibility to compute m* directly in WIEN2k
using a perturbation theory.
The carrier concentration depends on experimental circumstances. There
is probably no direct answer.
Best regards
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
Email: rub...@mcmaster.ca
Tel: +1-905-525-9140, ext. 24094
Web: http://olegrubel.mcmaster.ca
On 2020-06-05 4:02 a.m., Nileema Sharma wrote:
Dear developers and users
For thermoelectric calculations I want to find "effective mass" of
carriers. Is there any way I can calculate it using band-structures (by
fitting a polynomial equation), since it is related to the second
derivative of energy w.r.t. k. Or else, can we get carrier concentration
and carrier's scattering time in BoltzTrap?
Best regards.
Thank you!!
Nileema Sharma
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