Related papers: Self-consistent study of electron confinement to m…
We studied the low temperature (T<130K) growth of Ag on Si(001) and Si(111) flat surfaces prepared by Si homo epitaxy with the aim to achieve thin metallic films. The band structure and morphology of the Ag overlayers have been investigated…
We present a quantum theoretical analysis of the electroluminescence from an intersubband transition of a quantum well structure embedded in a planar microcavity. By using a cluster factorization method, we have derived a closed set of…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…
We report on the self-induced electron trapping occurring in a ultracold neutral plasma that is set to expand freely. At the early stages of the plasma, the ions are not thermalized follow a Gaussian spatial profile, providing the trapping…
The self-organization of a chemi-sorbed mono-layer is studied as a two dimensional ordering process in presence of surface stress. As proved previously for a single phase separation, a steady surface state is yielded from the competition…
We combine density functional theory and scanning tunneling microscopy to study the proximity effects between a bulk Ru(0001) superconductor and an atomically thin overlayer of Co. We have identified that the Co monolayer can grow in two…
With angle resolved photoemission experiments and \emph{ab-initio} electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted allowing the molecular orientation and an unambiguous…
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…
In this article, fractal concepts were used to explore the thermally evaporated potassium bromide thin films of different thicknesses 200, 300, and 500 nm respectively; grown on aluminium substrates at room temperature. The self-affine or…
Atomic structures of quasi-one-dimensional (1D) character can be grown on semiconductor substrates by metal adsorption. Significant progress concerning study of their 1D character has been achieved recently by condensing noble metal atoms…
We investigate the influence of confinement on the positional order of a quasi-1D electron system trapped on the surface of liquid helium. We find evidence that the melting of the Wigner solid (WS) depends on the confinement strength, as…
Here we study the kinetics of liquefaction and solidification of thin bismuth films grown on the insulating substrate by the pulsed laser deposited (PLD) and molecular beam epitaxy (MBE) and investigated by in situ electron and X-ray…
In this feature article, we provide an overview of our research on statistical copolymers as a coating material for metal oxide nanoparticles and surfaces. These copolymers contain functional groups enabling non-covalent binding to oxide…
The unique sub-grain patterns have been found in some particular alloys (316L, Al-Si, Co-Cr-Mo) selective laser melting (SLM), the submicron-scale cellular, elongated cellular or even band structures are always coexisting inside one single…
Additive microfabrication processes based on localized electroplating enable the one-step deposition of micro-scale metal structures with outstanding performance, e.g. high electrical conductivity and mechanical strength. They are therefore…
We employ a multiscale modeling approach to study the surface structure and composition of a Pd(100) model catalyst in reactive environments. Under gas phase conditions representative of technological CO oxidation (~1 atm, 300-600 K) we…
The electronic structure of the CuO monolayer is investigated taking into account the intra- and interatomic Coulomb interactions on copper and oxygen atoms. Local Coulomb interactions and covalence effects are treated exactly when…
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…
Control of structural couplings at the complex-oxide interfaces is a powerful platform for creating new ultrathin layers with electronic and magnetic properties unattainable in the bulk. However, with the capability to design and control…