Thermal conductivity of one dimensional structures

[sitangshu]

Hi,

Can anybody let me know how to generate "thermal conductivity" script for both diffusive and ballistic electron and phonon transport in one dimensional semiconductors?

Thanks and Regards

Sitangshu

[nori]

Current version of ATK can only calculate thermal conductivity derived from coherent electron transport.
In other words, thermal conductivity derived from diffusive electron transport or coherent/diffusive phonon transport can't be treated in principle in ATK calculation now.