Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2

We present a scanning tunneling microscopy (STM) and ab-initio study of the anisotropic superconductivity of 2H-NbSe2 in the charge-density-wave (CDW) phase. Differential-conductance spectra show a clear double-peak structure, which is well reproduced by density functional theory simulations enabling full k- and real-space resolution of the superconducting gap. The hollow-centered (HC) and chalcogen-centered (CC) CDW patterns observed in the experiment are mapped onto separate van der Waals layers with different electronic properties. We identify the CC layer as the high-gap region responsible for the main STM peak. Remarkably, this region belongs to the same Fermi surface sheet that is broken by the CDW gap opening. Simulations reveal a highly anisotropic distribution of the superconducting gap within single Fermi sheets, setting aside the proposed scenario of a two-gap superconductivity. Our results point to a spatially localized competition between superconductivity and CDW involving the HC regions of the crystal.

Native point defects and their implications for the Dirac point gap at MnBi2Te4(0001)

We study the surface crystalline and electronic structures of the antiferromagnetic topological insulator MnBi2Te4 using scanning tunneling microscopy/spectroscopy (STM/S), micro(μ)-laser angle-resolved photoemission spectroscopy (ARPES), and density functional theory calculations. Our STM images reveal native point defects at the surface that we identify as BiTe antisites and MnBi substitutions. Bulk X-ray diffraction further evidences the presence of the Mn-Bi intermixing. Overall, our characterizations suggest that the defects concentration is nonuniform within crystals and differs from sample to sample. Consistently, the ARPES and STS experiments reveal that the Dirac point gap of the topological surface state is different for different samples and sample cleavages, respectively. Our calculations show that the antiparallel alignment of the MnBi moments with respect to those of the Mn layer can indeed cause a strong reduction of the Dirac point gap size. The present study provides important insights into a highly debated issue of the MnBi2Te4 Dirac point gap.

Zero-field skyrmionic states and in-field edge-skyrmions induced by boundary tuning

When magnetic skyrmions are moved via currents, they do not strictly travel along the path of the current, instead their motion also gains a transverse component. This so-called skyrmion Hall effect can be detrimental in potential skyrmion devices because it drives skyrmions towards the edge of their hosting material where they face potential annihilation. Here we experimentally modify a skyrmion model system—an atomic Pd/Fe bilayer on Ir(111)—by decorating the film edge with ferromagnetic Co/Fe patches. Employing spin-polarized scanning tunneling microscopy, we demonstrate that this ferromagnetic rim prevents skyrmion annihilation at the film edge and stabilizes skyrmions and target states in zero field. Furthermore, in an external magnetic field the Co/Fe rim can give rise to skyrmions pinned to the film edge. Spin dynamics simulations reveal how a combination of different attractive and repulsive skyrmion-edge interactions can induce such an edge-pinning effect for skyrmions.

Defect-Induced π-Magnetism into Non-Benzenoid Nanographenes

The synthesis of nanographenes (NGs) with open-shell ground states have recently attained increasing attention in view of their interesting physicochemical properties and great prospects in manifold applications as suitable materials within the rising field of carbon-based magnetism. A potential route to induce magnetism in NGs is the introduction of structural defects, for instance non-benzenoid rings, in their honeycomb lattice. Here, we report the on-surface synthesis of three open-shell non-benzenoid NGs (A1, A2 and A3) on the Au(111) surface. A1 and A2 contain two five- and one seven-membered rings within their benzenoid backbone, while A3 incorporates one five-membered ring. Their structures and electronic properties have been investigated by means of scanning tunneling microscopy, noncontact atomic force microscopy and scanning tunneling spectroscopy complemented with theoretical calculations. Our results provide access to open-shell NGs with a combination of non-benzenoid topologies previously precluded by conventional synthetic procedures.

Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites

Molecularly soft organic-inorganic hybrid perovskites are susceptible to dynamic instabilities of the lattice called octahedral tilt, which directly impacts their carrier transport and exciton-phonon coupling. Although the structural phase transitions associated with octahedral tilt has been extensively studied in 3D hybrid halide perovskites, its impact in hybrid 2D perovskites is not well understood. Here, we used scanning tunneling microscopy (STM) to directly visualize surface octahedral tilt in freshly exfoliated 2D Ruddlesden-Popper perovskites (RPPs) across the homologous series, whereby the steric hindrance imposed by long organic cations is unlocked by exfoliation. The experimentally determined octahedral tilts from n = 1 to n = 4 RPPs from STM images are found to agree very well with out-of-plane surface octahedral tilts predicted by density functional theory calculations. The surface-enhanced octahedral tilt is correlated to excitonic redshift observed in photoluminescence (PL), and it enhances inversion asymmetry normal to the direction of quantum well and promotes Rashba spin splitting for n > 1.

Ordering a rhenium catalyst on Ag(001) through molecule-surface step interaction

Atomic scale studies of the anchoring of catalytically active complexes to surfaces may provide valuable insights for the design of new catalytically active hybrid systems. In this work, the self-assembly of 1D, 2D and 3D structures of the complex fac-Re(bpy)(CO)3Cl (bpy = 2,2′-bipyridine), a CO2 reduction catalyst, on the Ag(001) surface are studied by a combination of low-temperature scanning tunneling microscopy and density functional theory calculations. Infrared and sum frequency generation spectroscopy confirm that the complex remains chemically intact under sublimation. Deposition of the complexes onto the silver surface at 300 K leads to strong local variations in the resulting surface coverage on the nanometer scale, indicating that in the initial phase of deposition a large fraction of the molecules is desorbing from the surface. Low coverage regions show a decoration of step edges aligned along the crystal’s symmetry axes <110>. These crystallographic directions are found to be of major importance to the binding of the complexes to the surface. Moreover, the interaction between the molecules and the substrate promotes the restructuring of surface steps along these directions. Well-aligned and decorated steps are found to act as nucleation point for monolayer growth (2D) before 3D growth starts.

EIS Characterization of Ti Alloys in Relation to Alloying Additions of Ta

The increased popularity of Ti and its alloys as important biomaterials is driven by their low modulus, greater biocompatibility, and better corrosion resistance in comparison to traditional biomaterials, such as stainless steel and Co–Cr alloys. Ti alloys are successfully used in severe stress situations, such as Ti–6Al–4V, but this alloy is related to long-term health problems and, in response, different Ti alloys composed of non-toxic and non-allergic elements such as Nb, Zr, Mo, and Ta have been developed for biomedical applications. In this context, binary alloys of titanium and tantalum have been developed and are predicted to be potential products for medical purposes. More than this, today, novel biocompatible alloys such as high entropy alloys with Ti and Ta are considered for biomedical applications and therefore it is necessary to clarify the influence of tantalum on the behavior of the alloy. In this study, various Ti–xTa alloys (with x = 5, 15, 25, and 30) were characterized using different techniques. High-resolution maps of the materials’ surfaces were generated by scanning tunneling microscopy (STM), and atom distribution maps were obtained by energy dispersive X-ray spectroscopy (EDS). A thorough output of chemical composition, and hence the crystallographic structure of the alloys, was identified by X-ray diffraction (XRD). Additionally, the electrochemical behavior of these Ti–Ta alloys was investigated by EIS in simulated body fluid at different potentials. The passive layer resistance increases with the potential due to the formation of the passive layer of TiO2 and Ta2O5 and then decreases due to the dissolution processes through the passive film. Within the Ti–xTa alloys, Ti–25Ta demonstrates excellent passive layer and corrosion resistance properties, so it seems to be a promising product for metallic medical devices.

Restructuring of emergent grain boundaries at free surfaces – an interplay between core stabilization and elastic stress generation

Scanning tunneling microscopy and numerical calculations are used to study the structure and relaxation of grain boundaries at the surface of planar nanocrystalline copper (111) films and bicrystals. We show that the strong energetic preference for boundary cores to lie along close-packed planes introduces a restructuring that rotates adjoining grains and generates elastic stresses in the triple junction region. The interplay of this stress field and the core stabilization determines the length scale of the restructuring and controls the shape and magnitude of the displacement field around the triple junction. Depending on the in-plane angle, restructured boundaries can extend to depths of ~ 15 nm with the associated elastic stress fields extending to even greater depths. These results point to a new mechanism of boundary relaxation at surfaces that is expected to play an important role in grain coalescence and stress evolution in growing films.