Related papers: Island morphology and adatom self-diffusion on Pt(…
The deposition of ultrathin Fe films on the Mo(110) surface at elevated temperatures results in the formation of distinctive nanowedge islands supported on a pseudomorphic Fe layer. We propose a model explaining the growth mode of these…
We present a new approach for predicting stable equilibrium shapes of crystalline islands on flat substrates, as commonly occur through solid-state dewetting of thin films. The new theory is a generalization of the widely used Winterbottom…
We consider irreversible second-layer nucleation that occurs when two adatoms on a terrace meet. We solve the problem analytically in one dimension for zero and infinite step-edge barriers, and numerically for any value of the barriers in…
There are three fundamental physical processes that gives rise to the morphology of a surface: deposition, surface diffusion and desorption. The characteristics of the interfaces generated by the combination of deposition and surface…
The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site…
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 formation mechanisms of evaporated Pd islands on the reconstructed Au(111) $22 /times /sqrt{3}$ herringbone surface have been here studied by Scanning Tunneling Microscopy (STM) at room temperature. Atomically resolved STM images at the…
A comparative first principles pseudopotential study of the adsorption and migration profiles of single Pt and Au atoms on the stoichiometric and reduced TiO2 rutile (110) surfaces is presented. Pt and Au behave similarly with respect to…
Surface catalytic processes produce, under certain conditions, small clusters of adsorbed atoms or groups, called {\em islands} which, after they have been formed, move as individual entities. Here we consider the catalytic reduction of NO…
For low to moderate supersaturations, crystals grow by lateral build-up of new layers. The edges of the layers are known as "steps". We consider the rate of step advance on a flat crystal face under the influence of bulk diffusion in the…
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)…
We show that the spatial distribution of the energy density of optimally shaped waves inside a scattering medium can be described by considering only a few of the lowest eigenfunctions of the diffusion equation. Taking into account only the…
The bandgap constitutes a challenging problem in density functional theory (DFT) methodologies. It is known that the energy gap values calculated by common DFT approaches are underestimated. The bandgap was also found to be related to the…
We report simulations of submonolayer epitaxial growth using a continuum phase field model. The island density and the island size distribution both show scaling behavior. When the capillary length is small, the island size distribution is…
The long-time behavior of a reaction-diffusion front between one static (e.g. porous solid) reactant A and one initially separated diffusing reactant B is analyzed for the mean-field reaction-rate density R(\rho_A,\rho_B) =…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
Square lattice gas models for heteroepitaxial growth are studied by means of kinetic Monte Carlo simulations, in order to find a possible origin of anisotropic island shape observed in growth experiments of long organic molecules. When…
We study the morphological evolution of strained islands in growing crystal films by use of a continuum description including wetting, elasticity and deposition flux. Wetting breaks translational invariance, allowing the flux to tune…
Elucidating the nature of the glass transition has been the holy grail of condensed matter physics and statistical mechanics for several decades. A phenomenological aspect that makes glass formation a conceptually formidable problem is that…
It is shown that quantum effects play determining role in nitrogen adatom diffusion due to several different factors. This could be related to the change of the energy of the quantum states and also due to the redistribution of electrons…