Thermal conductivity
Posted: Mon Jul 01, 2019 6:53 am
Hello ABINIT users
I was trying to calculate the electron-phonon part of thermal conductivity of monolayer graphene with K-point grid (4 4 1) and I got 53.581 W/m-K at 300 K .Is this the correct result for graphene ?When I am taking dense K-point grid ,the TC value of graphene is decreasing .But in the case of FCC aluminium it is 239 W/mK with K-point grid (36 36 36).I just want to be confirm whatever result I am getting is it correct.Also I noticed that in case of aluminium while increasing the k-point grid I am getting a converged value of thermal conductivity .Kindly suggest me.
I was trying to calculate the electron-phonon part of thermal conductivity of monolayer graphene with K-point grid (4 4 1) and I got 53.581 W/m-K at 300 K .Is this the correct result for graphene ?When I am taking dense K-point grid ,the TC value of graphene is decreasing .But in the case of FCC aluminium it is 239 W/mK with K-point grid (36 36 36).I just want to be confirm whatever result I am getting is it correct.Also I noticed that in case of aluminium while increasing the k-point grid I am getting a converged value of thermal conductivity .Kindly suggest me.