One-dimensional wires are known to be inherently unstable at finite temperature. Here, we show that long-range order of atomic Au double chains adsorbed on a Si(553) surface is not only stabilized by interaction with the substrate, but spontaneous self-healing of structural defects is actually enforced by the adsorption of atomic species such as Au or H. This is true even for random adsorbate distribution. Combining atomistic models within density functional theory with low energy electron diffraction and high-resolution electron energy loss spectroscopy, we demonstrate that this apparently counterintuitive behavior is mainly caused by adsorption-induced band filling of modified surface bands, i.e., by the strong electronic correlation throughout the whole terrace. Although adsorption preferably occurs at the step edge, it enhances the dimerization and the stiffness of the Au dimers. Thus, the intertwinement of quasi-1D properties with delocalized 2D effects enforces the atomic wire order.

Topological surface states usually emerge at the boundary between a topological and a conventional insulator. Their precise physical character and spatial localization depend on the complex interplay between the chemical, structural and electronic properties of the two insulators in contact. Using a lattice-matched heterointerface of single and double bilayers of β-antimonene and bismuth selenide, we perform a comprehensive experimental and theoretical study of the chiral surface states by means of microscopy and spectroscopic measurements complemented by first-principles calculations. We demonstrate that, although β-antimonene is a trivial insulator in its free-standing form, it inherits the unique symmetry-protected spin texture from the substrate via a proximity effect that induces outward migration of the topological state. This “topologization” of β-antimonene is found to be driven by the hybridization of the bands from either side of the interface.

Ultrathin metallic silicide nanowires with extremely high aspect ratios can be easily grown, e.g., by deposition of rare earth elements on semiconducting surfaces. These wires play a pivotal role in fundamental research and open intriguing perspectives for CMOS applications. However, the electronic properties of these one-dimensional systems are extremely sensitive to atomic-sized defects, which easily alter the transport characteristics. In this study, we characterized comprehensively ${\mathrm{TbSi}}_2$ wires grown on Si(100) and correlated details of the atomic structure with their electrical resistivities. Scanning tunneling microscopy (STM) as well as all transport experiments were performed in situ using a four-tip STM system. The measurements are complemented by local spectroscopy and density functional theory revealing that the silicide wires are electronically decoupled from the Si template. On the basis of a quasiclassical transport model, the size effect found for the resistivity is quantitatively explained in terms of bulk and surface transport channels considering details of atomic-scale roughness. Regarding future applications the full wealth of these robust nanostructures will emerge only if wires with truly atomically sharp interfaces can be reliably grown.

Rare-earth deposition on Si(001) substrates and thermal treatment lead to the formation of metastable silicide nanowires with extremely high aspect ratios and quasi-one-dimensional metallicity. In this work, the prototypical erbium silicide nanowires are investigated theoretically by ab initio thermodynamics, considering a multitude of possible nanowire structures. The calculations indicate that the nanowires consist of hexagonal ${\mathrm{ErSi}}_2$ with two possible orientations with respect to the substrate, that they are partially buried into the substrate, and that they are electronically decoupled from the substrate. However, wires of finite width are predicted to be less favorable than planar silicide structures, demonstrating that the wires are metastable and suggesting that their formation is more governed by kinetic effects than by thermodynamics.

Thin antimony layers adsorbed on bismuth selenide (${\mathrm{Bi}}_2{\mathrm{Se}}_3$) present an exciting topological insulator system. Much recent effort has been made to understand the synthesis and electronic properties of the heterostructure, particularly the migration of the topological surface states under adsorption. However, the intertwinement of the topological surface states of the pristine ${\mathrm{Bi}}_2{\mathrm{Se}}_3$ substrate with the Sb adlayer remains unclear. In this theoretical work, we apply density functional theory (DFT) to model heterostructures of single and double atomic layers of Sb on a bismuth selenide substrate. We thereby discuss established and alternative structural models, as well as the hybridization of topological surface states with the Sb states. Concerning the geometry, we reveal the possibility of structures with inverted Sb layers which are energetically close to the established ones. The formation energy differences are below 10 meV/atom. Concerning the hybridization, we trace the band structure evolution as a function of the adlayer-substrate distance. By following changes in the connection between the Kramers pairs, we extract a series of topological phase transitions. This allows us to explain the origin of the complex band structure, and ultimately complete our knowledge about this peculiar system.