[21a-311-1~14] 17.2 Graphene

▲ [21a-311-6] First-Principle Study of Bilayer Graphene Valley States

〇(D)Afsal Kareekunnan¹, Manoharan Muruganathan¹, Hiroshi Mizuta^1,2 (1.JAIST, 2.Hitachi Camb. Lab.)

Keywords:bilayer graphene, valley states

Valley related study has great scientific interest these days as they gives scope for a novel information carrier for electronic devices, apart from the charge and spin degree of freedom. Thus herein we study the vallsy states in bilayer graphene. The ab initio calculations are performed using the LCAO method implemented in SIESTA based on van der Waals exchange correlation functionals. A vacuum layer of thickness 20 Å was used to avoid the interaction between adjacent bilayers. A fine Monkhorst-Pack grid of 36 x 36 x 1 and a mesh cut off of 400 Ry were used in all the calculations. Berry curvature was calculated using Wannier90.