Dear Experts,
I was calculating the band structure of graphene by repeating the hexagonal primitive cell for testing purposes.
I repeated the hexagonal primitive cell 2, 3 , 4, 5, 6, 7 and 8 times, respectively.
I have received typical graphene band structure with Dirac point at the 'K' point of brillouin zone for 2, 3, 4, 5, 7, 8 repetition cases.
However, the 6 times repetition case shows a different band structure with Dirac point at 'G' point. (The images are attached below).
Why the band structure is different only for 6 repetitions case ?
Let us say it is a result of folded bands and shrinked brilllouin zone due to the repetition of supercell. Then why we are getting the typical band structure (having dirac point at 'k' point) for 7 and 8 repetition cases
Please explain.
Awaiting your suggestions.