[Wien] High symmetry points of Graphene

shamik chakrabarti shamik15041981 at gmail.com
Mon Mar 27 20:58:48 CEST 2023


It seems like shifting of origin in 2 C atoms hexagonal cell to 6 C atoms
monoclinik cell. Please correct me if I am wrong.

On Mon, Mar 27, 2023, 22:50 shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> Dear Wien2k users,
>
>                           I am asking a basic question, which I am not
> able to solve till now by Lit.. survey. I have simulated Graphene with
> Primitive space group having the same structure of hexagonal Graphene to
> have more freedom over C inequivalent atoms for studying the effect of
> doping.  However, during band structure plot I am obtained Dirac cone at
> high symmetry point Gamma & not at K point in which a hexagonal lattice
> structure exhibits Dirac points.
>
> Please comment on this. Looking forward to listening from you.
>
> with regards, .
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>
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