Transport in graphene antidot barriers and tunneling devices

Periodic arrays of antidots, i.e. nanoscale perforations, in graphene enable tight confinement of carriers and efficient transport barriers. Such barriers evade the Klein tunneling mechanism by being of the mass rather than electrostatic type. While all graphene antidot lattices (GALs) may support directional barriers, we show, however, that a full transport gap exists only for certain orientations of the GAL. Moreover, we assess the applicability of gapped graphene and the Dirac continuum approach as simplified models of various antidot structures showing that, in particular, the former is an excellent approximation for transport in GALs supporting a bulk band gap. Finally, the transport properties of a GAL based resonant tunneling diode is analyzed indicating that such advanced graphene based devices may, indeed, be realized using GAL structures.Comment: 12 pages, 9 figures, accepted for publication on Journal of Applied Physic

Tight-binding study of the magneto-optical properties of gapped graphene

We study the optical properties of gapped graphene in presence of a magnetic field. We consider a model based on the Dirac equation, with a gap introduced via a mass term, for which analytical expressions for the diagonal and Hall optical conductivities can be derived. We discuss the effect of the mass term on electron-hole symmetry and $\pi$-$\pi^*$ symmetry and its implications for the optical Hall conductivity. We compare these results with those obtained using a tight-binding model, in which the mass is modeled via a staggered potential and a magnetic field is included via a Peierls substitution. Considering antidot lattices as the source of the mass term, we focus on the limit where the mass term dominates the cyclotron energy. We find that a large gap quenches the effect of the magnetic field. The role of overlap between neighboring $\pi$ orbitals is investigated, and we find that the overlap has pronounced consequences for the optical Hall conductivity that are missed in the Dirac model.Comment: 10 pages, 9 figures, submitted for Physical Review

Theory of second harmonic generation in few-layered MoS2

Recent experimental results have demonstrated the ability of monolayer MoS$_2$ to efficiently generate second harmonic fields with susceptibilities between 0.1 and 100 nm/V. However, no theoretical calculations exist with which to interpret these findings. In particular, it is of interest to theoretically estimate the modulus of the second harmonic response, since experimental reports on this differ by almost three orders of magnitude. Here, we present single-particle calculations of the second harmonic response based on a tight-binding band structure. We compare directly with recent experimental findings and include in the discussion also spectral features and the effects of multiple layers

Hypergeometric resummation of self-consistent sunset diagrams for electron-boson quantum many-body systems out of equilibrium

A newly developed hypergeometric resummation technique [H. Mera et al., Phys. Rev. Lett. 115, 143001 (2015)] provides an easy-to-use recipe to obtain conserving approximations within the self-consistent nonequilibrium many-body perturbation theory. We demonstrate the usefulness of this technique by calculating the phonon-limited electronic current in a model of a single-molecule junction within the self-consistent Born approximation for the electron-phonon interacting system, where the perturbation expansion for the nonequilibrium Green function in powers of the free bosonic propagator typically consists of a series of non-crossing \sunset" diagrams. Hypergeometric resummation preserves conservation laws and it is shown to provide substantial convergence acceleration relative to more standard approaches to self-consistency. This result strongly suggests that the convergence of the self-consistent \sunset" series is limited by a branch-cut singularity, which is accurately described by Gauss hypergeometric functions. Our results showcase an alternative approach to conservation laws and self-consistency where expectation values obtained from conserving perturbation expansions are \summed" to their self-consistent value by analytic continuation functions able to mimic the convergence-limiting singularity structure.Comment: 13 pages, 6 figure

A Lightweight Multilevel Markup Language for Connecting Software Requirements and Simulations

[Context] Simulation is a powerful tool to validate specified requirements especially for complex systems that constantly monitor and react to characteristics of their environment. The simulators for such systems are complex themselves as they simulate multiple actors with multiple interacting functions in a number of different scenarios. To validate requirements in such simulations, the requirements must be related to the simulation runs. [Problem] In practice, engineers are reluctant to state their requirements in terms of structured languages or models that would allow for a straightforward relation of requirements to simulation runs. Instead, the requirements are expressed as unstructured natural language text that is hard to assess in a set of complex simulation runs. Therefore, the feedback loop between requirements and simulation is very long or non-existent at all. [Principal idea] We aim to close the gap between requirements specifications and simulation by proposing a lightweight markup language for requirements. Our markup language provides a set of annotations on different levels that can be applied to natural language requirements. The annotations are mapped to simulation events. As a result, meaningful information from a set of simulation runs is shown directly in the requirements specification. [Contribution] Instead of forcing the engineer to write requirements in a specific way just for the purpose of relating them to a simulator, the markup language allows annotating the already specified requirements up to a level that is interesting for the engineer. We evaluate our approach by analyzing 8 original requirements of an automotive system in a set of 100 simulation runs