Abstract
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 = 1.048 Å at vanishing E, and its dependence on E has been obtained. The thus determined was employed to construct the hybrid one-electron potential which generates a new set of energies for the image-potential states.
Highlights
The numerous properties of graphene have been intensively investigated after its experimental realization
The electronic structure of graphene around the Fermi level at zero external electric field is presented in Figure 2 by thick black lines
We show how the energy position of all these bands changes when the external electric field of −0.4 V/Å or 0.4 V/Å is applied
Summary
The numerous properties of graphene have been intensively investigated after its experimental realization. There still remains a simple unanswered question regarding the way in which the induced charge density is distributed in the vicinity of a graphene monolayer when an external electric field is applied to the graphene sheet. This topic was addressed, to some degree, by considering the problem of screening of the electric field induced by point charges in graphite [1,2,3,4,5]. The in-plane distribution of the induced charge has been actively discussed [5,6,7,8,9,10]. As for the charge distribution in the direction perpendicular to the plane of carbon atoms, it was considered as being localized on it [5]
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