Real-space methods for calculating the electronic response of 2D materials

ORAL

Abstract

We study the effects of applied fields on several 2D materials including graphene and metal dichalcogenides. We use a real space density functional method with 2D periodic boundary conditions. This negates the need for a supercell and allows us to directly simulate a transverse electric field. The dielectric properties can be calculated without layer-layer interactions. Changes in band structure in response to imposed fields are also discussed.

Authors

  • Benjamin Garrett

    University of Texas at Austin

  • James R. Chelikowsky

    University of Texas at Austin, University of Austin at Texas, Univ of Texas, Austin, The University of Texas at Austin