how to obtain the phonon transmission of a desired layer in heterostructure

[chethankumar_m]

hi all,
I am working on Graphene-Mos2 heterostructure, is it possible to obtain the phonon transmission spectrum of only Graphene or MoS2 layer in heterostructure? if it is possible, can you brief about how to achieve it?
Thank you

[Petr Khomyakov]

To do that, you may have a look at the following two tutorials http://docs.quantumwise.com/tutorials/phonon_calcs/phonon_calcs.html and http://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html.

[chethankumar_m]

Thank you

[chethankumar_m]

Dear Petr Khomyakov,
I followed your Instruction, according to the second tutorial (http://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html)  we get transmission spectrum of the whole structure but is it possible to get the spectrum of only one layer in heterostructure?

[Petr Khomyakov]

The transmission spectrum/coefficient is not really a position dependent quantity as it is defined in asymptotic regions  far away from the scattering region. For visualizing the transmission pathways of phonons or electrons in the scattering region, one can however calculate local currents as done for the electron transport in the TransmissionPathways analysis tool, see http://docs.quantumwise.com/manuals/Types/TransmissionPathways/TransmissionPathways.html.  This feature has not been implemented in the ATK for the phonon transport yet.