Graphene Rings in Magnetic Fields: Aharonov-Bohm Effect and Valley Splitting

We study the conductance of mesoscopic graphene rings in the presence of a perpendicular magnetic field by means of numerical calculations based on a tight-binding model. First, we consider the magnetoconductance of such rings and observe the Aharonov-Bohm effect. We investigate different regimes of the magnetic flux up to the quantum Hall regime, where the Aharonov-Bohm oscillations are suppressed. Results for both clean (ballistic) and disordered (diffusive) rings are presented. Second, we study rings with smooth mass boundary that are weakly coupled to leads. We show that the valley degeneracy of the eigenstates in closed graphene rings can be lifted by a small magnetic flux, and that this lifting can be observed in the transport properties of the system.Comment: 12 pages, 9 figure

Three-Dimensional Dirac Electrons at the Fermi Energy in Cubic Inverse Perovskites: Ca_3PbO and its Family

The band structure of cubic inverse perovskites, Ca_3PbO and its family, are investigated with the first-principles method. A close observation of the band structure reveals that six equivalent Dirac electrons with a very small mass exist on the line connecting the Gamma- and X-points, and at the symmetrically equivalent points in the Brillouin zone. The discovered Dirac electrons are three-dimensional and remarkably located exactly at the Fermi energy. A tight-binding model describing the low-energy band structure is also constructed and used to discuss the origin of the Dirac electrons in this material. Materials related to Ca_3PbO are also studied, and some design principles for the Dirac electrons in this series of materials are proposed.Comment: 4.2 pages, refined versio

Superconductivity enhanced conductance fluctuations in few layer graphene nanoribbons

We investigate the mesoscopic disorder induced rms conductance variance $\delta G$ in a few layer graphene nanoribbon (FGNR) contacted by two superconducting (S) Ti/Al contacts. By sweeping the back-gate voltage, we observe pronounced conductance fluctuations superimposed on a linear background of the two terminal conductance G. The linear gate-voltage induced response can be modeled by a set of inter-layer and intra-layer capacitances. $\delta G$ depends on temperature T and source-drain voltage $V_{sd}$. $\delta G$ increases with decreasing T and $|V_{sd}|$. When lowering $|V_{sd}|$, a pronounced cross-over at a voltage corresponding to the superconducting energy gap $\Delta$ is observed. For |V_{sd}|\ltequiv \Delta the fluctuations are markedly enhanced. Expressed in the conductance variance $G_{GS}$ of one graphene-superconducutor (G-S) interface, values of 0.58 e^2/h are obtained at the base temperature of 230 mK. The conductance variance in the sub-gap region are larger by up to a factor of 1.4-1.8 compared to the normal state. The observed strong enhancement is due to phase coherent charge transfer caused by Andreev reflection at the nanoribbon-superconductor interface.Comment: 15 pages, 5 figure

Valley filter and valley valve in graphene

It is known that the lowest propagating mode in a narrow ballistic ribbon of graphene may lack the twofold valley degeneracy of higher modes. Depending on the crystallographic orientation of the ribbon axis, the lowest mode mixes both valleys or lies predominantly in a single valley (chosen by the direction of propagation). We show, using a tight-binding model calculation, that a nonequilibrium valley polarization can be realized in a sheet of graphene, upon injection of current through a ballistic point contact with zigzag edges. The polarity can be inverted by local application of a gate voltage to the point contact region. Two valley filters in series may function as an electrostatically controlled ``valley valve'', representing a zero-magnetic-field counterpart to the familiar spin valve.Comment: RevTeX, 4 pages, 5 figure

A distributed multiscale computation of a tightly coupled model using the Multiscale Modeling Language

AbstractNature is observed at all scales; with multiscale modeling, scientists bring together several scales for a holistic analysis of a phenomenon. The models on these different scales may require significant but also heterogeneous computational resources, creating the need for distributed multiscale computing. A particularly demanding type of multiscale models, tightly coupled, brings with it a number of theoretical and practical issues. In this contribution, a tightly coupled model of in-stent restenosis is first theoretically examined for its multiscale merits using the Multiscale Modeling Language (MML); this is aided by a toolchain consisting of MAPPER Memory (MaMe), the Multiscale Application Designer (MAD), and Gridspace Experiment Workbench. It is implemented and executed with the general Multiscale Coupling Library and Environment (MUSCLE). Finally, it is scheduled amongst heterogeneous infrastructures using the QCG-Broker. This marks the first occasion that a tightly coupled application uses distributed multiscale computing in such a general way

Electronic structure and magnetic properties of the graphene/Fe/Ni(111) intercalation-like system

The electronic structure and magnetic properties of the graphene/Fe/Ni(111) system were investigated via combination of the density functional theory calculations and electron-spectroscopy methods. This system was prepared via intercalation of thin Fe layer (1 ML) underneath graphene on Ni(111) and its inert properties were verified by means of photoelectron spectroscopy. Intercalation of iron in the space between graphene and Ni(111) changes drastically the magnetic response from the graphene layer that is explained by the formation of the highly spin-polarized $3d_{z^2}$ quantum-well state in the thin iron layer.Comment: Manuscript and supplementary material