Electronic States of Graphene Nanoribbons

We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively understood using the Dirac equation with appropriate boundary conditions. For the zigzag nanoribbon we demonstrate that the boundary condition allows a particle- and a hole-like band with evanescent wavefunctions confined to the surfaces, which continuously turn into the well-known zero energy surface states as the width gets large. For armchair edges, we show that the boundary condition leads to admixing of valley states, and the band structure is metallic when the width of the sample in lattice constant units is divisible by 3, and insulating otherwise. A comparison of the wavefunctions and energies from tight-binding calculations and solutions of the Dirac equations yields quantitative agreement for all but the narrowest ribbons.Comment: 5 pages, 6 figure

Hydrodynamic modes, Green-Kubo relations, and velocity correlations in dilute granular gases

It is shown that the hydrodynamic modes of a dilute granular gas of inelastic hard spheres can be identified, and calculated in the long wavelength limit. Assuming they dominate at long times, formal expressions for the Navier-Stokes transport coefficients are derived. They can be expressed in a form that generalizes the Green-Kubo relations for molecular systems, and it is shown that they can also be evaluated by means of $N$-particle simulation methods. The form of the hydrodynamic modes to zeroth order in the gradients is used to detect the presence of inherent velocity correlations in the homogeneous cooling state, even in the low density limit. They manifest themselves in the fluctuations of the total energy of the system. The theoretical predictions are shown to be in agreement with molecular dynamics simulations. Relevant related questions deserving further attention are pointed out

Diffusion in a Granular Fluid - Theory

Many important properties of granular fluids can be represented by a system of hard spheres with inelastic collisions. Traditional methods of nonequilibrium statistical mechanics are effective for analysis and description of the inelastic case as well. This is illustrated here for diffusion of an impurity particle in a fluid undergoing homogeneous cooling. An appropriate scaling of the Liouville equation is described such that the homogeneous cooling ensemble and associated time correlation functions map to those of a stationary state. In this form the familiar methods of linear response can be applied, leading to Green - Kubo and Einstein representations of diffusion in terms of the velocity and mean square displacement correlation functions. These correlation functions are evaluated approximately using a cumulant expansion and from kinetic theory, providing the diffusion coefficient as a function of the density and the restitution coefficients. Comparisons with results from molecular dynamics simulation are given in the following companion paper

Navier-Stokes transport coefficients of dd-dimensional granular binary mixtures at low density

The Navier-Stokes transport coefficients for binary mixtures of smooth inelastic hard disks or spheres under gravity are determined from the Boltzmann kinetic theory by application of the Chapman-Enskog method for states near the local homogeneous cooling state. It is shown that the Navier-Stokes transport coefficients are not affected by the presence of gravity. As in the elastic case, the transport coefficients of the mixture verify a set of coupled linear integral equations that are approximately solved by using the leading terms in a Sonine polynomial expansion. The results reported here extend previous calculations [V. Garz\'o and J. W. Dufty, Phys. Fluids {\bf 14}, 1476 (2002)] to an arbitrary number of dimensions. To check the accuracy of the Chapman-Enskog results, the inelastic Boltzmann equation is also numerically solved by means of the direct simulation Monte Carlo method to evaluate the diffusion and shear viscosity coefficients for hard disks. The comparison shows a good agreement over a wide range of values of the coefficients of restitution and the parameters of the mixture (masses and sizes).Comment: 6 figures, to be published in J. Stat. Phy

Numerical Evidence for Divergent Burnett Coefficients

In previous papers [Phys. Rev. A {\bf 41}, 4501 (1990), Phys. Rev. E {\bf 18}, 3178 (1993)], simple equilibrium expressions were obtained for nonlinear Burnett coefficients. A preliminary calculation of a 32 particle Lennard-Jones fluid was presented in the previous paper. Now, sufficient resources have become available to address the question of whether nonlinear Burnett coefficients are finite for soft spheres. The hard sphere case is known to have infinite nonlinear Burnett coefficients (ie a nonanalytic constitutive relation) from mode coupling theory. This paper reports a molecular dynamics caclulation of the third order nonlinear Burnett coefficient of a Lennard-Jones fluid undergoing colour flow, which indicates that this term is diverges in the thermodynamic limit.Comment: 12 pages, 9 figure

Andreev reflection and Klein tunneling in graphene

This is a colloquium-style introduction to two electronic processes in a carbon monolayer (graphene), each having an analogue in relativistic quantum mechanics. Both processes couple electron-like and hole-like states, through the action of either a superconducting pair potential or an electrostatic potential. The first process, Andreev reflection, is the electron-to-hole conversion at the interface with a superconductor. The second process, Klein tunneling, is the tunneling through a p-n junction. Existing and proposed experiments on Josephson junctions and bipolar junctions in graphene are discussed from a unified perspective. CONTENTS: I. INTRODUCTION II. BASIC PHYSICS OF GRAPHENE (Dirac equation; Time reversal symmetry; Boundary conditions; Pseudo-diffusive dynamics) III. ANDREEV REFLECTION (Electron-hole conversion; Retro-reflection vs. specular reflection; Dirac-Bogoliubov-de Gennes equation; Josephson junctions; Further reading) IV. KLEIN TUNNELING (Absence of backscattering; Bipolar junctions; Magnetic field effects; Further reading) V. ANALOGIES (Mapping between NS and p-n junction; Retro-reflection vs. negative refraction; Valley-isospin dependent quantum Hall effect; Pseudo-superconductivity)Comment: 20 pages, 28 figures; "Colloquium" for Reviews of Modern Physic

Diffusion of impurities in a granular gas

Diffusion of impurities in a granular gas undergoing homogeneous cooling state is studied. The results are obtained by solving the Boltzmann--Lorentz equation by means of the Chapman--Enskog method. In the first order in the density gradient of impurities, the diffusion coefficient $D$ is determined as the solution of a linear integral equation which is approximately solved by making an expansion in Sonine polynomials. In this paper, we evaluate $D$ up to the second order in the Sonine expansion and get explicit expressions for $D$ in terms of the restitution coefficients for the impurity--gas and gas--gas collisions as well as the ratios of mass and particle sizes. To check the reliability of the Sonine polynomial solution, analytical results are compared with those obtained from numerical solutions of the Boltzmann equation by means of the direct simulation Monte Carlo (DSMC) method. In the simulations, the diffusion coefficient is measured via the mean square displacement of impurities. The comparison between theory and simulation shows in general an excellent agreement, except for the cases in which the gas particles are much heavier and/or much larger than impurities. In theses cases, the second Sonine approximation to $D$ improves significantly the qualitative predictions made from the first Sonine approximation. A discussion on the convergence of the Sonine polynomial expansion is also carried out.Comment: 9 figures. to appear in Phys. Rev.

Collective Modes of Soliton-Lattice States in Double-Quantum-Well Systems

In strong perpendicular magnetic fields double-quantum-well systems can sometimes occur in unusual broken symmetry states which have interwell phase coherence in the absence of interwell hopping. When hopping is present in such systems and the magnetic field is tilted away from the normal to the quantum well planes, a related soliton-lattice state can occur which has kinks in the dependence of the relative phase between electrons in opposite layers on the coordinate perpendicular to the in-plane component of the magnetic field. In this article we evaluate the collective modes of this soliton-lattice state in the generalized random-phase aproximation. We find that, in addition to the Goldstone modes associated with the broken translational symmetry of the soliton-lattice state, higher energy collective modes occur which are closely related to the Goldstone modes present in the spontaneously phase-coherent state. We study the evolution of these collective modes as a function of the strength of the in-plane magnetic field and comment on the possibility of using the in-plane field to generate a finite wave probe of the spontaneously phase-coherent state.Comment: REVTEX, 37 pages (text) and 15 uuencoded postscript figure

Molecular dynamics simulations of vibrated granular gases

We present molecular dynamics simulations of mono- or bidisperse inelastic granular gases driven by vibrating walls, in two dimensions (without gravity). Because of the energy injection at the boundaries, a situation often met experimentally, density and temperature fields display heterogeneous profiles in the direction perpendicular to the walls. A general equation of state for an arbitrary mixture of fluidized inelastic hard spheres is derived and successfully tested against numerical data. Single-particle velocity distribution functions with non-Gaussian features are also obtained, and the influence of various parameters (inelasticity coefficients, density...) analyzed. The validity of a recently proposed Random Restitution Coefficient model is assessed through the study of projected collisions onto the direction perpendicular to that of energy injection. For the binary mixture, the non-equipartition of translational kinetic energy is studied and compared both to experimental data and to the case of homogeneous energy injection (``stochastic thermostat''). The rescaled velocity distribution functions are found to be very similar for both species