Percolating States in the Topological Anderson Insulator

We investigate the presence of percolating states in disordered two-dimensional topological insulators. In particular, we uncover a close connection between these states and the so-called topological Anderson insulator (TAI), which is a topologically non-trivial phase induced by the presence of disorder. The decay of this phase could previously be connected to a delocalization of bulk states with increasing disorder strength. In this work we identify this delocalization to be the result of a percolation transition of states that circumnavigate the hills of the bulk disorder potential.Comment: 8 pages, 5 figures, to appear in Phys. Rev.

Decreasing excitation gap in Andreev billiards by disorder scattering

We investigate the distribution of the lowest-lying energy states in a disordered Andreev billiard by solving the Bogoliubov-de Gennes equation numerically. Contrary to conventional predictions we find a decrease rather than an increase of the excitation gap relative to its clean ballistic limit. We relate this finding to the eigenvalue spectrum of the Wigner-Smith time delay matrix between successive Andreev reflections. We show that the longest rather than the mean time delay determines the size of the excitation gap. With increasing disorder strength the values of the longest delay times increase, thereby, in turn, reducing the excitation gap.Comment: 6 pages, 5 figures, submitted to EP

Photovoltaic effect in an electrically tunable van der Waals heterojunction

Semiconductor heterostructures form the cornerstone of many electronic and optoelectronic devices and are traditionally fabricated using epitaxial growth techniques. More recently, heterostructures have also been obtained by vertical stacking of two-dimensional crystals, such as graphene and related two- dimensional materials. These layered designer materials are held together by van der Waals forces and contain atomically sharp interfaces. Here, we report on a type- II van der Waals heterojunction made of molybdenum disulfide and tungsten diselenide monolayers. The junction is electrically tunable and under appropriate gate bias, an atomically thin diode is realized. Upon optical illumination, charge transfer occurs across the planar interface and the device exhibits a photovoltaic effect. Advances in large-scale production of two-dimensional crystals could thus lead to a new photovoltaic solar technology.Comment: 26 pages, 14 figures, Nano Letters 201

Non-retracing orbits in Andreev billiards

The validity of the retracing approximation in the semiclassical quantization of Andreev billiards is investigated. The exact energy spectrum and the eigenstates of normal-conducting, ballistic quantum dots in contact with a superconductor are calculated by solving the Bogoliubov-de Gennes equation and compared with the semiclassical Bohr-Sommerfeld quantization for periodic orbits which result from Andreev reflections. We find deviations that are due to the assumption of exact retracing electron-hole orbits rather than the semiclassical approximation, as a concurrently performed Einstein-Brillouin-Keller quantization demonstrates. We identify three different mechanisms producing non-retracing orbits which are directly identified through differences between electron and hole wave functions.Comment: 9 pages, 12 figures, Phys. Rev. B (in print), high resolution images available upon reques

Electrostatically confined monolayer graphene quantum dots with orbital and valley splittings

The electrostatic confinement of massless charge carriers is hampered by Klein tunneling. Circumventing this problem in graphene mainly relies on carving out nanostructures or applying electric displacement fields to open a band gap in bilayer graphene. So far, these approaches suffer from edge disorder or insufficiently controlled localization of electrons. Here we realize an alternative strategy in monolayer graphene, by combining a homogeneous magnetic field and electrostatic confinement. Using the tip of a scanning tunneling microscope, we induce a confining potential in the Landau gaps of bulk graphene without the need for physical edges. Gating the localized states towards the Fermi energy leads to regular charging sequences with more than 40 Coulomb peaks exhibiting typical addition energies of 7-20 meV. Orbital splittings of 4-10 meV and a valley splitting of about 3 meV for the first orbital state can be deduced. These experimental observations are quantitatively reproduced by tight binding calculations, which include the interactions of the graphene with the aligned hexagonal boron nitride substrate. The demonstrated confinement approach appears suitable to create quantum dots with well-defined wave function properties beyond the reach of traditional techniques

Fano resonances and decoherence in transport through quantum dots

A tunable microwave scattering device is presented which allows the controlled variation of Fano line shape parameters in transmission through quantum billiards. We observe a non-monotonic evolution of resonance parameters that is explained in terms of interacting resonances. The dissipation of radiation in the cavity walls leads to decoherence and thus to a modification of the Fano profile. We show that the imaginary part of the complex Fano q-parameter allows to determine the absorption constant of the cavity. Our theoretical results demonstrate further that the two decohering mechanisms, dephasing and dissipation, are equivalent in terms of their effect on the evolution of Fano resonance lineshapes.Comment: 9 pages, 7 figures, submitted to Physica E (conference proceedings

Large tunable valley splitting in edge-free graphene quantum dots on boron nitride

Coherent manipulation of binary degrees of freedom is at the heart of modern quantum technologies. Graphene offers two binary degrees: the electron spin and the valley. Efficient spin control has been demonstrated in many solid state systems, while exploitation of the valley has only recently been started, yet without control on the single electron level. Here, we show that van-der Waals stacking of graphene onto hexagonal boron nitride offers a natural platform for valley control. We use a graphene quantum dot induced by the tip of a scanning tunneling microscope and demonstrate valley splitting that is tunable from -5 to +10 meV (including valley inversion) by sub-10-nm displacements of the quantum dot position. This boosts the range of controlled valley splitting by about one order of magnitude. The tunable inversion of spin and valley states should enable coherent superposition of these degrees of freedom as a first step towards graphene-based qubits

Mirror Symmetry Breaking and Lateral Stacking Shifts in Twisted Trilayer Graphene

We construct a continuum model of twisted trilayer graphene using {\it ab initio} density-functional-theory calculations, and apply it to address twisted trilayer electronic structure. Our model accounts for moir\'e variation in site energies, hopping between outside layers and within layers. We focus on the role of a mirror symmetry present in ABA graphene trilayers with a middle layer twist. The mirror symmetry is lost intentionally when a displacement field is applied between layers, and unintentionally when the top layer is shifted laterally relative to the bottom layer. We use two band structure characteristics that are directly relevant to transport measurements, the Drude weight and the weak-field Hall conductivity, and relate them via the Hall density to assess the influence of the accidental lateral stacking shifts currently present in all experimental devices on electronic properties, and comment on the role of the possible importance of accidental lateral stacking shifts for superconductivity in twisted trilayers.Comment: 14 pages, 12 figure

Dissociation Energies via Embedding Techniques

Due to the large number of interactions, evaluating interaction energies for large or periodic systems results in time-consuming calculations. Prime examples are liquids, adsorbates, and molecular crystals. Thus, there is a high demand for a cheap but still accurate method to determine interaction energies and gradients. One approach to counteract the computational cost is to fragment a large cluster into smaller subsystems, sometimes called many-body expansion, with the fragments being molecules or parts thereof. These subsystems can then be embedded into larger entities, representing the bigger system. In this work, we test several subsystem approaches and explore their limits and behaviors, determined by calculations of trimer interaction energies. The methods presented here encompass mechanical embedding, point charges, polarizable embedding, polarizable density embedding, and density embedding. We evaluate nonembedded fragmentation, QM/MM (quantum mechanics/molecular mechanics), and QM/QM (quantum mechanics/quantum mechanics) embedding theories. Finally, we make use of symmetry-adapted perturbation theory utilizing density functional theory for the monomers to interpret the results. Depending on the strength of the interaction, different embedding methods and schemes prove favorable to accurately describe a system. The embedding approaches presented here are able to decrease the interaction energy errors with respect to full system calculations by a factor of up to 20 in comparison to simple/unembedded approaches, leading to errors below 0.1 kJ/mol.</p