[Wannier] Computing Figure of merit: Reg

Suresh A suresh2007pgp19 at gmail.com
Sun Nov 29 03:09:19 CET 2015


Respected Experts/Friends,
                       I am new one to wannier90. I have installed and ran
transport examples for silicon and for CoSb3 to reproduce results
successfully.In research papers they includes figure of merit (ZT) and
electrical conductivity, Seebeck coefficients and thermal conductivity as a
function of carrier concentrations. My question is
                                        1) How to calculate figure of merit
from Boltzwann? I am asking this because the code produce electrical
conductivity, Seebeck coefficients, and Thermal conductivity as a function
of chemical potential.
                                        2) How to calculate electrical
conductivity, Seebeck coefficients as a function of carrier concentration.

If one has to do seperate calculation to compute figure of merit  and
tranport coefficients as a function of carrier concentration from obtained
results then I request your help to know these calculations.I am eagerly
waiting for the valuable reply. Thanks in advance
                  With Regards,
A.Suresh,
Research Scholar,
Madurai Kamaraj University,
Madurai.
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