• 文献标题:   Screening in Graphene: Response to External Static Electric Field and an Image-Potential Problem
  • 文献类型:   Article
  • 作  者:   SILKIN VM, KOGAN E, GUMBS G
  • 作者关键词:   graphene, electric field, valence charge density, image potential, imageplane position, imagepotential state
  • 出版物名称:   NANOMATERIALS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   5
  • DOI:   10.3390/nano11061561
  • 出版年:   2021

▎ 摘  要

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 angstrom 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.