Related papers: Reconstructions and faceting of H-covered Al(111)
The morphology and electronic structure of pentacene (Pn) deposited on Cu(111) was studied using scanning tunneling microscopy (STM) and spectroscopy (STS). Deposition of a multilayer followed by annealing to reduce coverage to a monolayer…
Two-dimensional (2D) honeycomb lattices beyond graphene, such as germanene, promise new physical properties such as quantum spin Hall effect. While there have been many claims of growth of germanene, the lack of precise structural…
Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated step formation energies show that the {111}-faceted step is…
Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of ${\alpha}$-Al$_{2}$O$_{3}$ was imaged with noncontact atomic…
We have studied the reconstruction of Pt(111) theoretically using a two-dimensional Frenkel-Kontorova model for which all parameters have been obtained from ab initio calculations. We find that the unreconstructed surface lies right at the…
While the growth of germanene has been claimed on many substrates, the exact crystal structures remain controversial. Here, we systematically explore the possible structures formed by Ge deposition onto Al(111) surface by combining…
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…
Discussed in the paper is the mixed scenario of charged liquid surface reconstruction when the surface 2D charge density is close to the saturation. The basic building block of arising honeycomb structure is shown to be a modified…
Charge transfer from a metal substrate stabilizes honeycomb borophene, whose electron deficit would otherwise spoil the hexagonal order of a $\pi$-bonded 2D atomic network. However, the coupling between the substrate and the boron overlayer…
The high-temperature properties of the Al(111) surface are studied by molecular-dynamics simulation. This surface does not melt below the bulk melting point, but can be superheated. Superheating of metal surfaces has been recently observed…
Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…
We report on a novel reconstruction of the alpha-boron (111) surface, discovered using an ab initio evolution structure search, and reveal that it has an unexpected neat structure and much lower surface energy than the recently proposed…
We systematically investigated the superstructure evolution of Te atoms on Au(111) substrate at different coverages. As revealed by low temperature scanning tunneling microscopy and spectroscopy, Te atoms form one-dimensional root3…
A silicene-like polymorph of the Si111 7x7 surface is proposed that resolves numerous experimental paradoxes and inconsistencies arising over the past 34 years. An analysis of the three established surface state charge densities from atom…
Structural engineering opens a door to manipulating the structures and thus tuning the properties of two-dimensional materials. Here, we report a reversible structural transition in honeycomb CuSe monolayer on Cu(111) through scanning…
The large Land\'{e} g-factor, high spin-orbit coupling, and low effective mass of the two-dimensional electron gas in InSb quantum wells combined with proximal superconductivity may realize a scalable platform for topological quantum…
We determine the stability and properties of interfaces of low-index Au surfaces adhered to TiO2(110), using density functional theory energy density calculations. We consider Au(100) and Au(111) epitaxies on rutile TiO2(110) surface, as…
Si(331)-(12x1) is the only confirmed planar silicon surface with a stable reconstruction located between (111) and (110). We have optimized the annealing sequence and are able to obtain almost defect free, atomically precise surface areas…
GaAs-(111)-nanostructures exhibiting second harmonic generation are new building blocks in nonlinear optics. Such structures can be fabricated through epitaxial lift-off employing selective etching of Al-containing layers and subsequent…
The adsorption of CO on unreconstructed and reconstructed Ir{100} has been studied, using a combination of density functional theory and thermodynamics, to determine the relative stability of the two phases as a function of CO coverage,…