Extended Hubbard model on a C20_{20} molecule

The electronic correlations on a C$_{20}$ molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength $V$, are studied using quantum Monte Carlo and exact diagonalization methods. For electron doped C$_{20}$, it is known that pair-binding arising from a purely electronic mechanism is absent within the standard Hubbard model (V=0). Here we show that this is also the case for hole doping for $0<U/t\leq 3$ and that, for both electron and hole doping, the effect of a non-zero $V$ is to work against pair-binding. We also study the magnetic properties of the neutral molecule, and find transitions between spin singlet and triplet ground states for either fixed $U$ or $V$ values. In addition, spin, charge and pairing correlation functions on C$_{20}$ are computed. The spin-spin and charge-charge correlations are very short-range, although a weak enhancement in the pairing correlation is observed for a distance equal to the molecular diameter.Comment: 9 pages, 8 figures, 4 table

Single-particle Excitation Spectra of C60_{60} Molecules and Monolayers

In this paper we present calculations of single-particle excitation spectra of neutral and three-electron-doped Hubbard C$_{60}$ molecules and monolayers from large-scale quantum Monte Carlo simulations and cluster perturbation theory. By a comparison to experimental photoemission, inverse photoemission, and angle-resolved photoemission data, we estimate the intermolecular hopping integrals and the C$_{60}$ molecular orientation angle, finding agreement with recent X-ray photoelectron diffraction (XPD) experiments. Our results demonstrate that a simple effective Hubbard model, with intermediate coupling, $U=4t$, provides a reasonable basis for modeling the properties of C$_{60}$ compounds.Comment: 6 page

Exact Results for the Bipartite Entanglement Entropy of the AKLT spin-1 chain

We study the entanglement between two domains of a spin-1 AKLT chain subject to open boundary conditions. In this case the ground-state manifold is four-fold degenerate. We summarize known results and present additional exact analytical results for the von Neumann entanglement entropy, as a function of both the size of the domains and the total system size for {\it all} four degenerate ground-states. In the large $l,L$ limit the entanglement entropy approaches $\ln(2)$ and $2\ln(2)$ for the $S^z_T=\pm 1$ and $S^z_T=0$ states, respectively. In all cases, it is found that this constant is approached exponentially fast defining a length scale $\xi=1/\ln(3)$ equal to the known bulk correlation length.Comment: 11 pages, 3 figure

Local Simulation Algorithms for Coulombic Interactions

We consider dynamically constrained Monte-Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever having to evaluate pair potentials or solve the Poisson equation. We discuss a simple implementation of a charged lattice gas as well as more elaborate off-lattice versions of the algorithm. There are analogies between our formulation of electrostatics and the bosonic Hubbard model in the phase approximation. Cluster methods developed for this model further improve the efficiency of the electrostatics algorithm.Comment: Proceedings Statphys22 10 page

Observation of supercurrent enhancement in SNS junctions by non-equilibrium injection into supercurrent carrying bound Andreev states

We report for the first time enhancement of the supercurrent by means of injection in a mesoscopic three terminal planar SNSNS device made of Al on GaAs. When a current is injected from one of the superconducting Al electrodes at an injection bias $V=\Delta(T)/e$, the DC Josephson current between the other two superconducting electrodes has a maximum, giving evidence for an enhancement due to a non-equilibrium injection into bound Andreev states of the underlying semiconductor. The effect persists to temperatures where the equilibrium supercurrent has vanished.Comment: 7 pages + 3 figures. Resubmitted to Phys. Rev. Lett. Contents change