Related papers: Atomically precise Si(331)-(12x1) surfaces
We consider the problem of reconstructing a nanocrystal at atomic resolution from electron microscopy images taken at a few tilt angles. A popular reconstruction approach called discrete tomography confines the atom locations to a coarse…
Creating 3D maps on robots and other mobile devices has become a reality in recent years. Online 3D reconstruction enables many exciting applications in robotics and AR/VR gaming. However, the reconstructions are noisy and generally…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
Based on first-principles calculation we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon…
Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…
A serial of two dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M=Ti, Zr; X=S, Se, Te) are investigated based on first-principles calculations. The evaluated low cleavage energy indicates that stable two dimensional…
The growth of well-ordered Mn nanodots arrays on Si(111)-7*7 reconstructed surface was investigated by means of scanning tunneling microscopy (STM) as well as Kinetic Monte Carlo (KMC) simulation. Mn atoms deposited slowly onto elevated…
The (001)SrTiO3 crystal surface can be engineered to display a self-organized pattern of well-separated and nearly pure single-terminated SrO and TiO2 regions by high temperature annealing in oxidizing atmosphere. By using surface sensitive…
Silicene, the two-dimensional (2D) allotrope of silicon has very recently attracted a lot of attention. It has a structure that is similar to graphene and it is theoretically predicted to show the same kind of electronic properties which…
Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire…
A yet unknown surface reconstruction of V3Si(001), which is most likely induced by carbon, is used to investigate the quasi-particle energy gap at the atomic scale by a cryogenic scanning tunneling microscope. The width of the gap was…
A surface of constant mean curvature (CMC) equal to $H$ in a sub-Riemannian $3$-manifold is strongly stable if it minimizes the functional $\text{area}+2H\,\text{volume}$ up to second order. In this paper we obtain some criteria ensuring…
We report experiments on surface nanopatterning of Si targets which are irradiated with 2 keV Ar + ions impinging at near-glancing incidence, under concurrent co-deposition of Au impurities simultaneously extracted from a gold target by the…
Density-functional calculations on the polar TiX(111) (X = C, N) surfaces show (i) for clean surfaces, strong Ti3d-derived surface resonances (SR's) at the Fermi level and X2p-derived SR's deep in the upper valence band and (ii) for adatoms…
With the reported synthesis of a fully planar 2D silicon carbide (SiC) allotrope, the possibilities of its technological applications are enormous. Recently, several authors have computationally studied the structures and electronic…
We give some new explicit examples of putatively optimal projective spherical designs. i.e., ones for which there is numerical evidence that they are of minimal size. These form continuous families, and so have little apparent symmetry in…
The realization of high-Q resonances in a silicon metasurface with various broken-symmetry blocks is reported. Theoretical analysis reveals that the sharp resonances in the metasurfaces originate from symmetry-protected bound states in the…
We discuss a generalization of the surface reconstruction arguments for the structure of intermediate size Si clusters, which leads to model geometries for the sizes 33, 39 (two isomers), 45 (two isomers), 49 (two isomers), 57 and 61 (two…
Vicinal surfaces of bismuth are unique test-beds for investigating one-dimensional (1D) spin-polarised surface states that may one day be used in spintronic devices. In this work, two such states have been observed for the (112) surface…
The regular polyhedra have the highest order of 3D symmetries and are exceptionally at- tractive templates for (self)-assembly using minimal types of building blocks, from nano-cages and virus capsids to large scale constructions like glass…