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« on: August 9, 2017, 16:40 »
Hi,
When I add graphene from database and I repeat A and B to make a large size, is it the same result like Brillouin Zone folding?
What I want to do is the phonon dispersion graphene on a substrate as function of different interface bonding.
If I make an interface between graphene and a substrate, I can't repeat its structure to obtain phonon dispersion.
Am I right?
Can I confirm right phonon dispersion with only unit cell instead of large size of graphene?
How can I have phonon dispersion without BZ folding with many atoms?
Thanks,
JY