Orbital-free density functional theory of out-of-plane charge screening in graphene

DOI10.1007/S00332-015-9259-4zbMATH Open1343.82074arXiv1405.4949OpenAlexW1839289745MaRDI QIDQ897165FDOQ897165

Authors: Vitaly Moroz, C. B. Muratov, Jianfeng Lu 

Publication date: 17 December 2015

Published in: Journal of Nonlinear Science (Search for Journal in Brave)

Abstract: We propose a density functional theory of Thomas-Fermi-Dirac-von Weizs"acker 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 non-zero response at a finite threshold value of the external charge is proved.

Full work available at URL: https://arxiv.org/abs/1405.4949

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zbMATH Keywords

fractional Laplacianground statenonlinear responsemassless relativistic fermions

Mathematics Subject Classification ID

Fractional derivatives and integrals (26A33) Optimality conditions for problems involving partial differential equations (49K20) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of nanostructures and nanoparticles (82D80)

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Cited In (11)

• A universal thin film model for Ginzburg-Landau energy with dipolar interaction
• Surface work function of chemically derived graphene: a first-principles study
• Conducting flat drops in a confining potential
• Asymptotic decay of solutions for sublinear fractional Choquard equations
• Layered solutions for a nonlocal Ginzburg-Landau model with periodic modulation
• Optimal decay and regularity for a Thomas-Fermi type variational problem
• On fractional Schrödinger equations with Hartree type nonlinearities
• Infinitely many free or prescribed mass solutions for fractional Hartree equations and Pohozaev identities
• Sharp Gagliardo-Nirenberg inequalities in fractional Coulomb-Sobolev spaces
• Layer solutions for a one-dimensional nonlocal model of Ginzburg-Landau type
• Ground state properties of graphene in Hartree-Fock theory

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