Bubbles in graphene - a computational study

Strain-induced deformations in graphene are predicted to give rise to large pseudomagnetic fields. We examine theoretically the case of gas-inflated bubbles to determine whether signatures of such fields are present in the local density of states. Sharp-edged bubbles are found to induce Friedel-type oscillations which can envelope pseudo-Landau level features in certain regions of the bubble. However, bubbles which minimise interference effects are also unsuitable for pseudo-Landau level formation due to more spatially varying field profiles.

Patched Greens function techniques for two dimensional systems: Electronic behaviour of bubbles and perforations in graphene

We present a numerically efficient technique to evaluate the Greens function for extended two dimensional systems without relying on periodic boundary conditions. Different regions of interest, or `patches, are connected using self energy terms which encode the information of the extended parts of the system. The calculation scheme uses a combination of analytic expressions for the Greens function of infinite pristine systems and an adaptive recursive Greens function technique for the patches. The method allows for an efficient calculation of both local electronic and transport properties, as well as the inclusion of multiple probes in arbitrary geometries embedded in extended samples. We apply the Patched Greens function method to evaluate the local densities of states and transmission properties of graphene systems with two kinds of deviations from the pristine structure: bubbles and perforations with characteristic dimensions of the order of 10-25 nm, i.e. including hundreds of thousands of atoms. The strain field induced by a bubble is treated beyond an effective Dirac model, and we demonstrate the existence of both Friedel-type oscillations arising from the edges of the bubble, as well as pseudo-Landau levels related to the pseudomagnetic field induced by the nonuniform strain. Secondly, we compute the transport properties of a large perforation with atomic positions extracted from a TEM image, and show that current vortices may form near the zigzag segments of the perforation.

Dual-probe spectroscopic fingerprints of defects in graphene

Recent advances in experimental techniques emphasize the usefulness of multiple scanning probe techniques when analyzing nanoscale samples. Here, we analyze theoretically dual-probe setups with probe separations in the nanometer range, i.e., in a regime where quantum coherence effects can be observed at low temperatures. In a dual-probe setup the electrons are injected at one probe and collected at the other. The measured conductance reflects the local transport properties on the nanoscale, thereby yielding information complementary to that obtained with a standard one-probe setup (the local density-of-states). In this work we develop a real space Greens function method to compute the conductance. This requires an extension of the standard calculation schemes, which typically address a finite sample between the probes. In contrast, the developed method makes no assumption on the sample size (e.g., an extended graphene sheet). Applying this method, we study the transport anisotropies in pristine graphene sheets, and analyze the spectroscopic fingerprints arising from quantum interference around single-site defects, such as vacancies and adatoms. Furthermore, we demonstrate that the dual-probe setup is a useful tool for characterizing the electronic transport properties of extended defects or designed nanostructures. In particular, we show that nanoscale perforations, or antidots, in a graphene sheet display Fano-type resonances with a strong dependence on the edge geometry of the perforation.

Theoretical analysis of a dual-probe scanning tunneling microscope setup on graphene

Experimental advances allow for the inclusion of multiple probes to measure the transport properties of a sample surface. We develop a theory of dual-probe scanning tunnelling microscopy using a Greens Function formalism, and apply it to graphene. Sampling the local conduction properties at finite length scales yields real space conductance maps which show anisotropy for pristine graphene systems and quantum interference effects in the presence of isolated impurities. The spectral signatures of the Fourier transform of real space conductance maps include characteristics that can be related to different scattering processes. We compute the conductance maps of graphene systems with different edge geometries or height fluctuations to determine the effects of non-ideal graphene samples on dual-probe measurements.