QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on June 16, 2016, 17:39

Title: Thermal coefficients plots
Post by: ams_nanolab on June 16, 2016, 17:39

How exactly are thermal coefficient plots created? And why does the contribution due to phonons remain flat over the range of energies, while the phonon transmission isn't?

Title: Re: Thermal coefficients plots
Post by: Jess Wellendorff on June 17, 2016, 08:41

The thermoelectric coefficients plugin uses the equations listed in the tutorial http://docs.quantumwise.com/tutorials/phonon_calcs.html?highlight=thermoelectric#calculating-electrical-and-heat-transport-for-a-graphene-nanoribbon (http://docs.quantumwise.com/tutorials/phonon_calcs.html?highlight=thermoelectric#calculating-electrical-and-heat-transport-for-a-graphene-nanoribbon). The energy x-scale is the electron energy, so any phonon contributions do not depend on this energy. The relevant position on the energy scale is determined by the electrode Fermi levels, which in turn depends on the electrode voltages.