Probing Spin-Dependent Ballistic Charge Transport at Single-Nanometer Length Scales.

The coherent transport of charge and spin is a key requirement of future devices for quantum computing and communication. Scattering at defects or impurities may significantly reduce the coherence of quantum-mechanical states, thereby affecting the device functionality. While numerous methods exist to experimentally assess charge transport, the real-space detection of a material's ballistic spin transport properties with nanometer resolution remains a challenge. Here we report on a novel approach that utilizes a combination of spin-polarized scanning tunneling microscopy (SP-STM) and the recently introduced molecular nanoprobe (MONA) technique. It relies on the local injection of spin-polarized charge carriers from a magnetic STM tip and their detection by a single surface-deposited phthalocyanine molecule via reversible electron-induced tautomerization events. Based on the particular electronic structure of the Rashba alloy BiAg2, which is governed by a spin-momentum-locked surface state, we prove that the current direction inverses upon tip magnetization reversal.

Controlled Formation of Porous 2D Lattices from C3 -symmetric Ph6 -Me-Tribenzotriquinacene-OAc3.

The on-surface self-assembly of molecules to form holey nanographenes is a promising approach to control the properties of the resulting 2D lattice. Usually, planar molecules are utilized to prepare flat, structurally confined molecular layers, with only a few recent examples of warped precursors. However, control of the superstructures is limited thus far. Herein, we report the temperature-controlled self-assembly of a bowl-shaped, acetylated C3 -symmetric hexaphenyltribenzotriquinacene derivative on Cu(111). Combining scanning tunneling microscopy (STM) and density functional theory (DFT) confirms the formation of highly differing arrangements starting with π-stacked bowl-to-bowl dimers at low coverage at room temperature via chiral honeycomb structures, an intermediate trigonal superstructure, followed by a fully carbon-based, flattened hexagonal superstructure formed by on-surface deacetylation, which is proposed as a precursor for holey graphene networks with unique defect structures.

Anisotropic coupling of individual vibrational modes to a Cu(110) substrate.

We present a study on the excitation of individual vibrational modes with ballistic charge carriers propagating along the Cu(110) surface. By means of the molecular nanoprobe technique, where the reversible switching of a molecule-in this case tautomerization of porphycene-is utilized to detect excitation events, we reveal anisotropic coupling of two distinct vibrational modes to the substrate. The N-H bending mode, excited below |E| ≈ 376 meV, exhibits maxima perpendicular to the rows of the Cu(110) substrate and minima along the rows. In contrast, the N-H stretching mode, excited above |E| ≈ 376 meV, displays maxima along the rows and is constant otherwise. This inversion of the anisotropy reflects the orthogonality between the N-H bending and stretching mode. Additionally, we observe an energy-dependent asymmetry in the propagation direction of charge carriers injected into the Cu(110) surface state. Hereby, the anisotropic band structure results in a correlation between the group velocity and the tunneling probability into electronic states of the substrate.

Visual Analysis of Multi-Parameter Distributions Across Ensembles of 3D Fields.

For an ensemble of 3D multi-parameter fields, we present a visual analytics workflow to analyse whether and which parts of a selected multi-parameter distribution is present in all ensemble members. Supported by a parallel coordinate plot, a multi-parameter brush is applied to all ensemble members to select data points with similar multi-parameter distribution. By a combination of spatial sub-division and a covariance analysis of partitioned sub-sets of data points, a tight partition in multi-parameter space with reduced number of selected data points is obtained. To assess the representativeness of the selected multi-parameter distribution across the ensemble, we propose a novel extension of violin plots that can show multiple parameter distributions simultaneously. We investigate the visual design that effectively conveys (dis-)similarities in multi-parameter distributions, and demonstrate that users can quickly comprehend parameter-specific differences regarding distribution shape and representativeness from a side-by-side view of these plots. In a 3D spatial view, users can analyse and compare the spatial distribution of selected data points in different ensemble members via interval-based isosurface raycasting. In two real-world application cases we show how our approach is used to analyse the multi-parameter distributions across an ensemble of 3D fields.