Influence of Roughness and Disorder on Tunneling Magnetoresistance

A systematic, quantitative study of the effect of interface roughness and disorder on the magnetoresistance of FeCo$|$vacuum$|$FeCo magnetic tunnel junctions is presented based upon parameter-free electronic structure calculations. Surface roughness is found to have a very strong effect on the spin-polarized transport while that of disorder in the leads (leads consisting of a substitutional alloy) is weaker but still sufficient to suppress the huge tunneling magneto-resistance (TMR) predicted for ideal systems

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 structures are such that they overlap in this reciprocal space for one spin direction only allowing us to predict perfect spin filtering for interfaces between graphite and (111) fcc or (0001) hcp Ni or Co. First-principles calculations of the scattering matrix show that the spin filtering is quite insensitive to amounts of interface roughness and disorder which drastically influence the spin-filtering properties of conventional magnetic tunnel junctions or interfaces between transition metals and semiconductors. When a single graphene sheet is adsorbed on these open $d$-shell transition metal surfaces, its characteristic electronic structure, with topological singularities at the K points in the two dimensional Brillouin zone, is destroyed by the chemical bonding. Because graphene bonds only weakly to Cu which has no states at the Fermi energy at the K point for either spin, the electronic structure of graphene can be restored by dusting Ni or Co with one or a few monolayers of Cu while still preserving the ideal spin injection property.Comment: 12 pages, 11 figure

Doping graphene with metal contacts

Making devices with graphene necessarily involves making contacts with metals. We 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 $\sim 0.5$ eV. At equilibrium separations, the crossover from $p$-type to $n$-type doping occurs for a metal work function of $\sim 5.4$ eV, a value much larger than the graphene work function of 4.5 eV. The numerical results for the Fermi level shift in graphene are described very well by a simple analytical model which characterizes the metal solely in terms of its work function, greatly extending their applicability.Comment: 4 pages, 5 figure

Graphite and graphene as perfect spin filters

Based upon the observations (i) that their in-plane lattice constants match almost perfectly and (ii) that their electronic structures overlap in reciprocal space for one spin direction only, we predict perfect spin filtering for interfaces between graphite and (111) fcc or (0001) hcp Ni or Co. The spin filtering is quite insensitive to roughness and disorder. 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

Integrability of Differential-Difference Equations with Discrete Kinks

In this article we discuss a series of models introduced by Barashenkov, Oxtoby and Pelinovsky to describe some discrete approximations to the \phi^4 theory which preserve travelling kink solutions. We show, by applying the multiple scale test that they have some integrability properties as they pass the A_1 and A_2 conditions. However they are not integrable as they fail the A_3 conditions.Comment: submitted to the Proceedings of the workshop "Nonlinear Physics: Theory and Experiment.VI" in a special issue di Theoretical and Mathematical Physic

Discrete kink dynamics in hydrogen-bonded chains I: The one-component model

We study topological solitary waves (kinks and antikinks) in a nonlinear one-dimensional Klein-Gordon chain with the on-site potential of a double-Morse type. This chain is used to describe the collective proton dynamics in quasi-one-dimensional networks of hydrogen bonds, where the on-site potential plays role of the proton potential in the hydrogen bond. The system supports a rich variety of stationary kink solutions with different symmetry properties. We study the stability and bifurcation structure of all these stationary kink states. An exactly solvable model with a piecewise ``parabola-constant'' approximation of the double-Morse potential is suggested and studied analytically. The dependence of the Peierls-Nabarro potential on the system parameters is studied. Discrete travelling-wave solutions of a narrow permanent profile are shown to exist, depending on the anharmonicity of the Morse potential and the cooperativity of the hydrogen bond (the coupling constant of the interaction between nearest-neighbor protons).Comment: 12 pages, 20 figure

Graphene-passivated nickel as an oxidation-resistant electrode for spintronics.

We report on graphene-passivated ferromagnetic electrodes (GPFE) for spin devices. GPFE are shown to act as spin-polarized oxidation-resistant electrodes. The direct coating of nickel with few layer graphene through a readily scalable chemical vapor deposition (CVD) process allows the preservation of an unoxidized nickel surface upon air exposure. Fabrication and measurement of complete reference tunneling spin valve structures demonstrate that the GPFE is maintained as a spin polarizer and also that the presence of the graphene coating leads to a specific sign reversal of the magneto-resistance. Hence, this work highlights a novel oxidation-resistant spin source which further unlocks low cost wet chemistry processes for spintronics devices.R.S.W. acknowledges funding from EPSRC (Doctoral training award). S.H. acknowledges funding from ERC Grant InsituNANO (Project Reference 279342). P.S. acknowledges the Institut Universitaire de France for junior fellowship support. This research was partially supported by the EU FP7 work programme under Grant GRAFOL (Project Reference 285275).This is the accepted manuscript. The final version is available from ACS at http://pubs.acs.org/doi/abs/10.1021/nn304424x

In situ observations of the atomistic mechanisms of Ni catalyzed low temperature graphene growth.

The key atomistic mechanisms of graphene formation on Ni for technologically relevant hydrocarbon exposures below 600 °C are directly revealed via complementary in situ scanning tunneling microscopy and X-ray photoelectron spectroscopy. For clean Ni(111) below 500 °C, two different surface carbide (Ni2C) conversion mechanisms are dominant which both yield epitaxial graphene, whereas above 500 °C, graphene predominantly grows directly on Ni(111) via replacement mechanisms leading to embedded epitaxial and/or rotated graphene domains. Upon cooling, additional carbon structures form exclusively underneath rotated graphene domains. The dominant graphene growth mechanism also critically depends on the near-surface carbon concentration and hence is intimately linked to the full history of the catalyst and all possible sources of contamination. The detailed XPS fingerprinting of these processes allows a direct link to high pressure XPS measurements of a wide range of growth conditions, including polycrystalline Ni catalysts and recipes commonly used in industrial reactors for graphene and carbon nanotube CVD. This enables an unambiguous and consistent interpretation of prior literature and an assessment of how the quality/structure of as-grown carbon nanostructures relates to the growth modes.L.L.P. acknowledges funding from Area di Ricerca Scientifica e Tecnologica of Trieste and from MIUR through Progetto Strategico NFFA. C.A. acknowledges support from CNR through the ESF FANAS project NOMCIS. C.A. and C.C. acknowledge financial support from MIUR (PRIN 2010-2011 nº 2010N3T9M4). S.B. acknowledges funding from ICTP TRIL program. S.H. acknowledges funding from ERC grant InsituNANO (n°279342). R.S.W. acknowledges funding from EPSRC (Doctoral training award), and the Nano Science & Technology Doctoral Training Centre Cambridge (NanoDTC). The help of C. Dri and F. Esch (design) and P. Bertoch and F. Salvador (manufacturing) in the realization of the high temperature STM sample holder is gratefully acknowledged. We acknowledge the Helmholtz-Zentrum-Berlin Electron storage ring BESSY II for provision of synchrotron radiation at the ISISS beamline and we thank the BESSY staff for continuous support of our experiments.This is the accepted manuscript. The final version is available from ACS at http://pubs.acs.org/doi/abs/10.1021/nn402927q

Interdependency of subsurface carbon distribution and graphene-catalyst interaction.

The dynamics of the graphene-catalyst interaction during chemical vapor deposition are investigated using in situ, time- and depth-resolved X-ray photoelectron spectroscopy, and complementary grand canonical Monte Carlo simulations coupled to a tight-binding model. We thereby reveal the interdependency of the distribution of carbon close to the catalyst surface and the strength of the graphene-catalyst interaction. The strong interaction of epitaxial graphene with Ni(111) causes a depletion of dissolved carbon close to the catalyst surface, which prevents additional layer formation leading to a self-limiting graphene growth behavior for low exposure pressures (10(-6)-10(-3) mbar). A further hydrocarbon pressure increase (to ∼10(-1) mbar) leads to weakening of the graphene-Ni(111) interaction accompanied by additional graphene layer formation, mediated by an increased concentration of near-surface dissolved carbon. We show that growth of more weakly adhered, rotated graphene on Ni(111) is linked to an initially higher level of near-surface carbon compared to the case of epitaxial graphene growth. The key implications of these results for graphene growth control and their relevance to carbon nanotube growth are highlighted in the context of existing literature.R.S.W. acknowledges a Research Fellowship from St. John’s College, Cambridge. S.H. acknowledges funding from ERC grant InsituNANO (No. 279342) and EPSRC under grant GRAPHTED (Ref. EP/K016636/1). We acknowledge the Helmholtz-Zentrum-Berlin Electron storage ring BESSY II for provision of synchrotron radiation at the ISISS beamline and we thank the BESSY staff for continuous support of our experiments. This research was partially supported by the EU FP7 Work Programme under grant Graphene Flagship (No. 604391). PRK acknowledges funding the Cambridge Commonwealth Trust. H.A. and C.B. acknowledge J.-Y. Raty and B. Legrand for fruitful discussions.This is the final published version. It's also available from ACS at http://pubs.acs.org/doi/abs/10.1021/ja505454v