[gpaw-users] heterostructure

Nitin Wadnerkar wadnerkar_nitin at yahoo.com
Mon Jun 15 11:40:00 CEST 2020


Hi,
I have couple of doubts relating to MoS2/WSe2 heterostructure tutorial.
1. In one of the steps,  the dielectric building blocks of isolated structures are coupled together through a macroscopic Dyson equation. This won't take care of lattice match, I presume? If so, then certainly strain (due to lattice mismatch) on this heterostructure will affect its interlayer exciton binding energy? (correct me if I am wrong to understand this).
2. I was looking for performance of GWQEH approach for this heterostructure (GW direct gap through its bandstructure). How to implement this through GPAW, any documentation/tutorial related this to follow?
Best regards,Nitin
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