Orbital-Free Density Functional Theory of Out-of-Plane Charge Screening in Graphene

Published

Journal Article

© 2015, Springer Science+Business Media New York. We propose a density functional theory of Thomas–Fermi–Dirac–von Weizsäcker type to describe the response of a single layer of graphene resting on a dielectric substrate to a point charge or a collection of charges some distance away from the layer. We formulate a variational setting in which the proposed energy functional admits minimizers, both in the case of free graphene layers and under back-gating. We further provide conditions under which those minimizers are unique and correspond to configurations consisting of inhomogeneous density profiles of charge carrier of only one type. The associated Euler–Lagrange equation for the charge density is also obtained, and uniqueness, regularity and decay of the minimizers are proved under general conditions. In addition, a bifurcation from zero to nonzero response at a finite threshold value of the external charge is proved.

Full Text

Duke Authors

Cited Authors

  • Lu, J; Moroz, V; Muratov, CB

Published Date

  • December 1, 2015

Published In

Volume / Issue

  • 25 / 6

Start / End Page

  • 1391 - 1430

Electronic International Standard Serial Number (EISSN)

  • 1432-1467

International Standard Serial Number (ISSN)

  • 0938-8974

Digital Object Identifier (DOI)

  • 10.1007/s00332-015-9259-4

Citation Source

  • Scopus