Electronic shells of Dirac fermions in graphene quantum rings in a magnetic field

We present results of tight binding calculations demonstrating existence of degenerate electronic shells of Dirac Fermions in narrow, charge neutral graphene quantum rings. We predict removal of degeneracy with finite magnetic field. We show, using a combination of tight binding and configuration interaction methods, that by filling a graphene ring with additional electrons this carbon based structure with half-filled shell acquires a finite magnetic moment.Comment: 10 pages, 4 figure

Electronic properties of gated triangular graphene quantum dots: Magnetism, correlations, and geometrical effects

We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of atomistic tight-binding, Hartree-Fock and configuration interaction methods (TB+HF+CI) including long range Coulomb interactions. The single particle energy spectrum of triangular dots with zigzag edges exhibits a degenerate shell at the Fermi level with a degeneracy N_{edge} proportional to the edge size. We determine the effect of the electron-electron interactions on the ground state, the total spin and the excitation spectrum as a function of a shell filling and the degeneracy of the shell using TB+HF+CI for N_{edge} < 12 and approximate CI method for N_{edge}\geq 12. For a half-filled neutral shell we find spin polarized ground state for structures up to N=500 atoms in agreement with previous {\it ab initio} and mean-field calculations, and in agreement with Lieb's theorem for a Hubbard model on a bipartite lattice. Adding a single electron leads to the complete spin depolarization for N_{edge}\leq 9. For larger structures, the spin depolarization is shown to occur at different filling factors. Away from half-fillings excess electrons(holes) are shown to form Wigner-like spin polarized triangular molecules corresponding to large gaps in the excitation spectrum. The validity of conclusions is assessed by a comparison of results obtained from different levels of approximations. While for the charge neutral system all methods give qualitatively similar results, away from the charge neutrality an inclusion of all Coulomb scattering terms is necessary to produce results presented here.Comment: 13 pages, 13 figure

Graphene-Dielectric Composite Metamaterials: Evolution from Elliptic to Hyperbolic Wavevector Dispersion and The Transverse Epsilon-Near-Zero Condition

We investigated a multilayer graphene-dielectric composite material, comprising graphene sheets separated by subwavelength-thick dielectric spacer, and found it to exhibit hyperbolic isofrequency wavevector dispersion at far- and mid-infrared frequencies allowing propagation of waves that would be otherwise evanescent in a dielectric. Electrostatic biasing was considered for tunable and controllable transition from hyperbolic to elliptic dispersion. We explored the validity and limitation of the effective medium approximation (EMA) for modeling wave propagation and cutoff of the propagating spatial spectrum due to the Brillouin zone edge. We found that EMA is capable of predicting the transition of the isofrequency dispersion diagram under certain conditions. The graphene-based composite material allows propagation of backward waves under the hyperbolic dispersion regime and of forward waves under the elliptic regime. Transition from hyperbolic to elliptic dispersion regimes is governed by the transverse epsilon-near-zero (TENZ) condition, which implies a flatter and wider propagating spectrum with higher attenuation, when compared to the hyperbolic regime. We also investigate the tunable transparency of the multilayer at that condition in contrast to other materials exhibiting ENZ phenomena.Comment: to be published in Journal of Nanophotonic

Symmetry operators and separation of variables in the (2+1)(2+1)-dimensional Dirac equation with external electromagnetic field

We obtain and analyze equations determining first-order differential symmetry operators with matrix coefficients for the Dirac equation with an external electromagnetic potential in a $(2+1)$-dimensional Riemann (curved) spacetime. Nonequivalent complete sets of mutually commuting symmetry operators are classified in a $(2+1)$-dimensional Minkowski (flat) space. For each of the sets we carry out a complete separation of variables in the Dirac equation and find a corresponding electromagnetic potential permitting separation of variables.Comment: 24 pages, version accepted for publication in Int. J. Geom. Methods Mod. Phy

Suppressing Roughness of Virtual Times in Parallel Discrete-Event Simulations

In a parallel discrete-event simulation (PDES) scheme, tasks are distributed among processing elements (PEs), whose progress is controlled by a synchronization scheme. For lattice systems with short-range interactions, the progress of the conservative PDES scheme is governed by the Kardar-Parisi-Zhang equation from the theory of non-equilibrium surface growth. Although the simulated (virtual) times of the PEs progress at a nonzero rate, their standard deviation (spread) diverges with the number of PEs, hindering efficient data collection. We show that weak random interactions among the PEs can make this spread nondivergent. The PEs then progress at a nonzero, near-uniform rate without requiring global synchronizations

Going through Rough Times: from Non-Equilibrium Surface Growth to Algorithmic Scalability

Efficient and faithful parallel simulation of large asynchronous systems is a challenging computational problem. It requires using the concept of local simulated times and a synchronization scheme. We study the scalability of massively parallel algorithms for discrete-event simulations which employ conservative synchronization to enforce causality. We do this by looking at the simulated time horizon as a complex evolving system, and we identify its universal characteristics. We find that the time horizon for the conservative parallel discrete-event simulation scheme exhibits Kardar-Parisi-Zhang-like kinetic roughening. This implies that the algorithm is asymptotically scalable in the sense that the average progress rate of the simulation approaches a non-zero constant. It also implies, however, that there are diverging memory requirements associated with such schemes.Comment: to appear in the Proceedings of the MRS, Fall 200

Localization in an Inhomogeneous Quantum Wire

We study interaction-induced localization of electrons in an inhomogeneous quasi-one-dimensional system--a wire with two regions, one at low density and the other high. Quantum Monte Carlo techniques are used to treat the strong Coulomb interactions in the low density region, where localization of electrons occurs. The nature of the transition from high to low density depends on the density gradient--if it is steep, a barrier develops between the two regions, causing Coulomb blockade effects. Ferromagnetic spin polarization does not appear for any parameters studied. The picture emerging here is in good agreement with measurements of tunneling between two wires.Comment: 4 pages; 2 new figures, substantial revisions and clarification

Magnetism and correlations in fractionally filled degenerate shells of graphene quantum dots

When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi level (Dirac point) [6-9]. The degeneracy is proportional to the edge size and can be made macroscopic. This opens up the possibility to design a strongly correlated electronic system as a function of fractional filling of the zero-energy shell, in analogy to the fractional quantum Hall effect in a quasi-two-dimensional electron gas[10], but without the need for a high magnetic field. In this work we show that electronic correlations, beyond the Hubbard model[6,7] and mean-field density functional theory (DFT) [7,8] play a crucial role in determining the nature of the ground state and the excitation spectrum of triangular graphene quantum dots as a function of dot size and filling fraction of the shell of zero-energy states. The interactions are treated by a combination of DFT, tight-binding, Hartree-Fock and configuration interaction methods (TB-HF-CI) and include all scattering and exchange terms within second nearest neighbors as well as interaction with metallic gate. We show that a half filled charge neutral shell leads to full spin polarization of the island but this magnetic moment is completely destroyed by the addition of a single electron, in analogy to the effect of skyrmions on the quantum Hall ferromagnet [11-14] and spin depolarization in electrostatically defined semiconductor quantum dots[15-18]. The depolarization of the ground state is predicted to result in blocking of current through a graphene quantum dot due to spin blockade (SB) [18].Comment: v2: minor corrections, new forma

Spin-spin correlations of magnetic impurities in graphene

We study the interaction between two magnetic adatom impurities in graphene using the Anderson model. The two-impurity Anderson Hamiltonian is solved numerically by using the quantum Monte Carlo technique. We find that the inter-impurity spin susceptibility is strongly enhanced at low temperatures, significantly diverging from the well-known Ruderman-Kittel-Kasuya-Yoshida (RKKY) result which decays as $R^{-3}$.Comment: 4 pages, 4 figure

Incipient Wigner Localization in Circular Quantum Dots

We study the development of electron-electron correlations in circular quantum dots as the density is decreased. We consider a wide range of both electron number, N<=20, and electron gas parameter, r_s<18, using the diffusion quantum Monte Carlo technique. Features associated with correlation appear to develop very differently in quantum dots than in bulk. The main reason is that translational symmetry is necessarily broken in a dot, leading to density modulation and inhomogeneity. Electron-electron interactions act to enhance this modulation ultimately leading to localization. This process appears to be completely smooth and occurs over a wide range of density. Thus there is a broad regime of ``incipient'' Wigner crystallization in these quantum dots. Our specific conclusions are: (i) The density develops sharp rings while the pair density shows both radial and angular inhomogeneity. (ii) The spin of the ground state is consistent with Hund's (first) rule throughout our entire range of r_s for all 4<N<20. (iii) The addition energy curve first becomes smoother as interactions strengthen -- the mesoscopic fluctuations are damped by correlation -- and then starts to show features characteristic of the classical addition energy. (iv) Localization effects are stronger for a smaller number of electrons. (v) Finally, the gap to certain spin excitations becomes small at the strong interaction (large r_s) side of our regime.Comment: 14 pages, 12 figure