Non-Commutative Tools for Topological Insulators

This paper reviews several analytic tools for the field of topological insulators, developed with the aid of non-commutative calculus and geometry. The set of tools includes bulk topological invariants defined directly in the thermodynamic limit and in the presence of disorder, whose robustness is shown to have non-trivial physical consequences for the bulk states. The set of tools also includes a general relation between the current of an observable and its edge index, relation that can be used to investigate the robustness of the edge states against disorder. The paper focuses on the motivations behind creating such tools and on how to use them.Comment: Final version (some arguments were corrected

Electronic structure and optical properties of metallic nanoshells

The electronic structure and optical properties of metallic nanoshells are investigated using a jellium model and the Time Dependent Local Density Approximation (TDLDA). An efficient numerical implementation enables applications to nanoshells of realistic size with up to a million electrons. We demonstrate how a frequency dependent background polarizability of the jellium shell can be included in the TDLDA formalism. The energies of the plasmon resonances are calculated for nanoshells of different sizes and with different dielectric cores, dielectric embedding media, and dielectric shell backgrounds. The plasmon energies are found to be in good agreement with the results from classical Mie scattering theory using a Drude dielectric function. A comparison with experimental data shows excellent agreement between theory and the measured frequency dependent absorption spectra

Band Alignment in Molecular Devices: Influence of Anchoring Group and Metal Work Function

We present periodic Density Functional Theory calculations of the electronic properties of molecular junctions formed by amine-, and thiol-terminated alkane chains attached to two metal (Au, Ag) electrodes. Based on extensive analysis that includes molecular monolayers of varying densities, we establish a relationship between the alignment of the molecular energy levels and the interface dipoles, which shows that the band alignment (BA) in the limit of long, isolated chains is independent of the link group and can be computed from a reference system of non interacting molecule + metal electrodes. The main difference between the amine and thiol linkers is the effective dipole moment at the contact. This is very large, about 4.5 D, for amine linkers, leading to a strong dependence of the BA on the monolayer density and a slow convergence to the isolated molecule limit. Instead, this convergence is fast for S anchors due to the very small, ~ 0.2 D, effective dipoles at the contacts

Transfer matrices for scalar fields on curved spaces

We apply Nelson's technique of constructing Euclidean fields to the case of classical scalar fields on curved spaces. It is shown how to construct a transfer matrix and, for a class of metrics, the basic spectral properties of its generator are investigated. An application concerning decoupling of non-convex disjoint region is given.Comment: 11 pages, no figur