P. Kelly

Publications268
h-index47
Citations10,057
Highly Influential Citations160
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Doping graphene with metal contacts.
TLDR
This work uses density functional theory to study how graphene is doped by adsorption on metal substrates and finds 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 approximately 0.5 eV.
First-principles study of the interaction and charge transfer between graphene and metals
Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates using first-principles…
Non-collinear magnetoelectronics
Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations
We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations. The most stable…
Graphite and graphene as perfect spin filters.
TLDR
The formation of a chemical bond between graphite and the open d-shell transition metals that might complicate or even prevent spin injection into a single graphene sheet can be simply prevented by dusting Ni or Co with one or a few monolayers of Cu while still preserving the ideal spin-injection property.
Theoretical prediction of perfect spin filtering at interfaces between close-packed surfaces of Ni or Co and graphite or graphene
The in-plane lattice constants of close-packed planes of fcc and hcp Ni and Co match that of graphite almost perfectly so that they share a common two-dimensional reciprocal space. Their electronic…
Recent Progress On Laser-Induced Modifications And Intrinsic Bulk Damage Of Wide-Gap Optical Materials
In this paper we provide a comprehensive review of our recent work on the nonlinear interaction between high intensity pulsed laser beams and transparent solids. New experimental techniques used to…
Interface enhancement of Gilbert damping from first principles.
TLDR
Determining the parameters in this theory from first principles shows that interface spin flipping makes an essential contribution to the damping enhancement, and a much shorter spin-flip diffusion length for Pt would be needed than the value calculated independently.
Giant Room Temperature Interface Spin Hall and Inverse Spin Hall Effects.
TLDR
By decomposing the room temperature SHE and inverse SHE currents into bulk and interface terms, this work discovers a giant interface SHA that dominates the total inverse SHE current with potentially major consequences for applications.
Conductance calculations for quantum wires and interfaces: Mode matching and Green's functions
Landauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green's-function techniques…
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