Author Topic: graphene bandstructure  (Read 1874 times)

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Offline David1986

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graphene bandstructure
« on: January 23, 2018, 19:31 »
hi
I flow this topic:
http://quantumwise.com/documents/tutorials/latest/BasicGrapheneTutorial/index.html/chap.graphene_bandstructure.html
and calculate the band structure, but when I repeat the structure in a and b direction unfortunately the results are wrong. 

Offline Petr Khomyakov

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Re: graphene bandstructure
« Reply #1 on: January 24, 2018, 09:27 »
What do you mean by "results are wrong"? When you create a supercell the band structure is supposed to get folded, i.e., the Brillouin zone shrinks and the bands are folded accordingly.

Note that there are more up-to-date tutorials on graphene and other 2D materials in our docs https://docs.quantumwise.com/tutorials/2d_materials.html.
« Last Edit: January 24, 2018, 12:53 by Petr Khomyakov »