I’m using AMSET to calculate electronic thermal conductivity for my material, but I was wondering about the boundary conditions used in these calculations. Specifically, is the electronic thermal conductivity computed assuming open circuit or closed circuit conditions? How does AMSET handle this aspect of the calculation?
The electrical thermal conductivity given by AMSET is the open circuit value.
To see how this was calculated, please refer to:
[1] Chapter 5 of Lundstrom, Mark S., and Changwook Jeong. Near-equilibrium transport: fundamentals and applications . Vol. 2. World Scientific Publishing Company, 2012.
[2] Eq.S15 of Ganose, Alex M., et al. “Efficient calculation of carrier scattering rates from first principles.” Nature communications 12.1 (2021): 2222.
Thank you so much for your help! Your answer was exactly what I needed, and it has really helped me understand the issue better. I truly appreciate you taking the time to provide such a clear and detailed response!