P
Paul J. Kelly
Researcher at MESA+ Institute for Nanotechnology
Publications - 166
Citations - 13908
Paul J. Kelly is an academic researcher from MESA+ Institute for Nanotechnology. The author has contributed to research in topics: Magnetization & Scattering. The author has an hindex of 53, co-authored 154 publications receiving 12756 citations. Previous affiliations of Paul J. Kelly include Philips & University of Twente.
Papers
More filters
Journal ArticleDOI
Doping graphene with metal contacts.
Gianluca Giovannetti,Gianluca Giovannetti,Petr Khomyakov,Geert Brocks,Volodymyr Karpan,J.E. van den Brink,J.E. van den Brink,Paul J. Kelly +7 more
TL;DR: In this article, the authors use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au, and Pt, while preserving its unique electronic structure, can still shift the Fermi level with respect to the conical point by 0:5 eV.
Journal ArticleDOI
Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations
Gianluca Giovannetti,Gianluca Giovannetti,Petr Khomyakov,Geert Brocks,Paul J. Kelly,Jeroen van den Brink,Jeroen van den Brink +6 more
TL;DR: In this article, the electronic structure of a graphene sheet on top of a hexagonal boron nitride (h-BN) substrate was determined using ab initio density functional calculations.
Journal ArticleDOI
First-principles study of the interaction and charge transfer between graphene and metals
Petr Khomyakov,Gianluca Giovannetti,Gianluca Giovannetti,P.C. Rusu,Geert Brocks,J. van den Brink,J. van den Brink,J. van den Brink,Paul J. Kelly +8 more
TL;DR: In this paper, the adsorption of graphene on metal substrates using first-principles calculations at the level of density-functional theory was studied, and a simple analytical model was developed that describes the Fermi-level shift in graphene in terms of the metal substrate work function.
Journal ArticleDOI
First-principles calculation of the magnetocrystalline anisotropy energy of iron, cobalt, and nickel
TL;DR: It is found that the variation of the anisotropy energy with changes in strain, in the magnitude of the spin-orbit coupling, for different choices of the exchange-correlation potential and for varying numbers of valence electrons are not capable of explaining these incorrect results.
Journal ArticleDOI
Graphite and Graphene as Perfect Spin Filters
Volodymyr Karpan,Gianluca Giovannetti,Gianluca Giovannetti,Petr Khomyakov,M. Talanana,A.A. Starikov,M. Zwierzycki,J. van den Brink,J. van den Brink,Geert Brocks,Paul J. Kelly +10 more
TL;DR: Based on the observations that their in-plane lattice constants match almost perfectly and their electronic structures overlap in reciprocal space for one spin direction only, the authors predict perfect spin filtering for interfaces between graphite and (111) fcc or (0001) hcp Ni or Co.