• 文献标题:   Orbital-Free Density Functional Theory of Out-of-Plane Charge Screening in Graphene
  • 文献类型:   Article
  • 作  者:   LU JF, MOROZ V, MURATOV CB
  • 作者关键词:   massless relativistic fermion, nonlinear response, ground state, fractional laplacian
  • 出版物名称:   JOURNAL OF NONLINEAR SCIENCE
  • ISSN:   0938-8974 EI 1432-1467
  • 通讯作者地址:   New Jersey Inst Technol
  • 被引频次:   5
  • DOI:   10.1007/s00332-015-9259-4
  • 出版年:   2015

▎ 摘  要

We propose a density functional theory of Thomas-Fermi-Dirac-von Weizsacker 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.