Nanomaterials (Jun 2021)

Screening in Graphene: Response to External Static Electric Field and an Image-Potential Problem

  • Vyacheslav M. Silkin,
  • Eugene Kogan,
  • Godfrey Gumbs

DOI
https://doi.org/10.3390/nano11061561
Journal volume & issue
Vol. 11, no. 6
p. 1561

Abstract

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We present a detailed first-principles investigation of the response of a free-standing graphene sheet to an external perpendicular static electric field E. The charge density distribution in the vicinity of the graphene monolayer that is caused by E was determined using the pseudopotential density-functional theory approach. Different geometries were considered. The centroid of this extra density induced by an external electric field was determined as zim = 1.048 Å at vanishing E, and its dependence on E has been obtained. The thus determined zim was employed to construct the hybrid one-electron potential which generates a new set of energies for the image-potential states.

Keywords