QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sayantanu on May 5, 2018, 13:51

Title: High temperature phonon calculation
Post by: sayantanu on May 5, 2018, 13:51

In Fig. 63 of the following example

"https://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html"
 
phonon thermal conductance has been shown up to a maximum temperature of 2000k. Is calculation at such a high temperature really meaningful at ballistic transport regime.

Title: Re: High temperature phonon calculation
Post by: Petr Khomyakov on May 7, 2018, 10:54

It is very likely that phonon-phonon scattering becomes of relevance at such high temperature. However, that was not the purpose of the tutorial to find the temperature range of the validity of harmonic approximation for the phonon transport. It is rather meant to show how the temperature dependence can be studied in the ballistic electron transport approximation, using the QuantumATK.