Screening of Coulomb impurities on doped graphene

Fabiano Corsetti
Fabiano.Corsetti {at} synopsys.com
Last updated: 26/11/2017

This web app simulates the screening of charged adatoms on a graphene substrate. It uses a non-linear, self-consistent method based on Thomas-Fermi theory with the inclusion of interband contributions from the random phase approximation (RPA). For more information on how this method was derived and tested, see:

F. Corsetti, A. A. Mostofi, and J. Lischner, First-principles multiscale modelling of charged adsorbates on doped graphene, 2D Mater. 4, 025070 (2017). [LINK]

Please cite this paper if you have used the app for your research!

Define your sample:

(N.B. 2D periodic boundary conditions)
Sample geometry
Length L =

Chemical potential μ =

Background dielectric constant εbg =

Select number of impurities:
Impurity 1: In-plane position p1 = {, } ; Height above plane h1 = ; Charge Z1 = e

Graphene properties:

Carbon-carbon distance a =

Fermi velocity vF =

Self-consistent screened potential: