Related papers: Sub-monolayer structures of Ag overlayers on Ge(11…
The electronic structure of molecules on metal surfaces is largely determined by hybridization and screening by the substrate electrons. As a result, the energy levels are significantly broadened and molecular properties, such as vibrations…
Unlike silicene, for which the demonstration of its existence has been done through numerous independent studies, the possibility of growing epitaxial germanene remains highly controversial. It has been recently shown by scanning tunneling…
The reconstruction of an Ag monolayer on Ag/Pt(111) is analyzed theoretically, employing a vertically extended Frenkel-Kontorova model whose parameters are derived from density functional theory. Energy minimization is carried out using…
Freestanding silicene, a monolayer of Si arranged in a honeycomb structure, has been predicted to give rise to massless Dirac fermions, akin to graphene. However, Si structures grown on a supporting substrate can show properties that…
We report on total-energy electronic-structure calculations in the density-functional theory performed for both monolayer and bilayer silicene on Ag(111) surfaces. The rt3 x rt3 structure observed experimentally and argued to be the…
Silicene monolayers grown on Ag(111) surfaces demonstrate a band gap that is tunable by oxygen adatoms from semimetallic to semiconducting type. By using low-temperature scanning tunneling microscopy, it is found that the adsorption…
In this paper, we report first principles calculations based on density functional theory to reveal the effects of selected adatoms (Li, Na, K, Be, Mg, Ca, B, C, N, O, Al, Si, P, Ga, Ge, As, Se and S) adsorption on GaX ( where X=S, Se)…
We propose a new structural model for the Si(111)-(5x2)-Au reconstruction. The model incorporates a new experimental value of 0.6 monolayer for the coverage of gold atoms, equivalent to six gold atoms per 5x2 cell. Five main theoretical…
Density-functional theory calculations are used to verify the atomic structure of the $\sqrt{3}$$\times$$\sqrt{3}$ silicene phase grown on the Ag(111) surface. Recent experimental studies strongly suggested that the previous double-layer…
We present a so far undetected submonolayer phase of copper telluride on Cu(111) with $\left(5 \times \sqrt{3}\right)_{\text{rect}}$ periodicity and coverage of 0.40 ML Tellurium (Te), which can be grown with perfect long-range order. It is…
We present a combined experimental and theoretical study of submonolayer heteroepitaxial growth of Ag on Si(111)-7x7 at temperatures from 420 K to 550 K when Ag atoms can easily diffuse on the surface and the reconstruction 7x7 remains…
Atomic and electronic structures of a polar surface of MgO formed on Ag(111) was investigated by using reflection high energy electron diffraction (RHEED), Auger electron spectroscopy, electron energy loss spectroscopy (EELS), and…
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…
Boron (B) sheet has been intently studied and various candidates with vacancies have been proposed by theoretical investigations, including the possible growth on metal surface. However, a recent experiment (Science 350, 1513, 2015)…
Low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoelectron spectroscopy have been used to study an ordered structure formed by Ge atoms deposited onto the Au(111) surface. Based on a careful analysis of…
An in-situ nanoscopic investigation of the prototypical surface alloying system Ag/Pt(111) is reported. The morphology and the structure of the ultrathin Ag-Pt film is studied using Low Energy Electron Microscopy during growth at about 800…
The tensile strained Si(111) layers grown on top of Ge(111) substrates are studied by combining scanning tunneling microscopy, low energy electron diffraction and first-principles calculations. It is shown that the layers exhibit c(2x4)…
This work studies the spontaneous self-assembly of Ge QDs on AlAs, GaAs, and AlGaAs by high temperature in-situ annealing in molecular beam epitaxy (MBE). The morphology of Ge dots formed on AlAs are observed by atom probe tomography, which…
First principles calculations show that H overlayers induce a honeycomb vacancy reconstruction on Al(111). Above one ML H coverage, Al(111) facets into surfaces vicinal to (111), with {100} faceted single and double steps and vacancies on…
We investigate the atomic and electronic structure of a single layer of pentacene on the Au(111) surface using density functional theory. To find the candidate structures we strain match the pentacene crystal geometry with the Au(111)…