Graphene Band gap
Posted: Sun Feb 09, 2014 7:16 pm
Dear Vasp Users
Iam using a 8 x 8 graphene supercell, I ploted the band structure for graphene and iam getting a band gap around 3 meV. Can I consider this as a zero band gap or still i have to go for further modification of parameters. Since iam already using a large supercell I can't go to higher K meshes. So any Idea about this.....
any suggestion can be greatly appriciated
Thank you
Iam using a 8 x 8 graphene supercell, I ploted the band structure for graphene and iam getting a band gap around 3 meV. Can I consider this as a zero band gap or still i have to go for further modification of parameters. Since iam already using a large supercell I can't go to higher K meshes. So any Idea about this.....
any suggestion can be greatly appriciated
Thank you