Related papers: First-principles study on field evaporation for si…

Evaporation of a liquid layer on a substrate is examined without the often-used isothermality assumption -- i.e., temperature variations are accounted for. Qualitative estimates show that nonisothermality makes the evaporation rate depend…

We derive scaling laws for the spin decoherence of neutral atoms trapped near conducting and superconducting plane surfaces. A new result for thin films sheds light on the measurement of Y.J. Lin, I. Teper, C. Chin, and V. Vuleti\'{c}…

The structure of single atoms in real space is investigated by scanning tunneling microscopy. Very high resolution is possible by a dramatic reduction of the tip-sample distance. The instabilities which are normally encountered when using…

We present energy- and charge-resolved measurements of low and hyperthermal energy Na+ ions scattered from a Ag(001) surface. With the primary ion beam oriented along the [110] crystal direction, distinct peaks in the energy distributions…

The relaxed geometries and electronic properties of the hydrogenated phases of the Si(111)-7$\times$7 surface are studied using first-principles molecular dynamics. A monohydride phase, with one H per dangling bond adsorbed on the bare…

The Si(111)7x7 surface was observed by reflection electron microscopy (REM) and scanning tunneling microscopy (STM) simultaneously in an ultra-high vacuum electron microscope. The distance between the STM tip and the Si surface was detected…

A first-principles approach for calculating ion separation in solution through two-dimensional (2D) membranes is proposed and applied. Ionic energy profiles across the membrane are obtained first, where solvation effects are simulated…

We observed quantum reflection of ultracold atoms from the attractive potential of a solid surface. Extremely dilute Bose-Einstein condensates of ^{23}Na, with peak density 10^{11}-10^{12}atoms/cm^3, confined in a weak gravito-magnetic trap…

The evaporation of a tiny amount of water on the solid surface with different wettability has been studied by molecular dynamics simulations. We found that, as the surface changed from hydrophobicity to hydrophility, the evaporation speed…

The first principles density functional theory (DFT) calculations have been used to investigate the atomic and electronic properties of thiadiazole adsorption on the Si(001) surface. A (2x2) reconstructed clean substrate surface has been…

We report on the first measurement of the elemental fragmentation cross sections (EFCSs) of $^{29-33}\mathrm{Si}$ on a carbon target at $\sim$230~MeV/nucleon. The experimental data covering charge changes of $\Delta Z$ = 1-4 are reproduced…

We investigate ionization at a solid-water interface in applied electric field. We attach an electrode to a dielectric film bearing silanol or carboxyl groups with an areal density $\Gamma_0$, where the degree of dissociation $\alpha$ is…

In this work, we have studied theoretically the effects of gold adsorption on the Al(001) surface, using {\it ab initio} pseudo-potential method in the framework of the density functional theory. Having found the hollow sites at the Al(001)…

Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…

Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which contains steps and kinks. We find the relaxation pattern to…

The hydrogen-terminated Silicon(100)-2x1 surface (H-Si(100)-2x1) provides a promising platform for the development of atom scale devices, with recent work showing their creation through precise desorption of surface hydrogen atoms. While…

Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…

The integration of III-V on silicon is still a hot topic as it will open up a way to co-integrate Si CMOS logic with photonic vices. To reach this aim, several hurdles should be solved, and more particularly the generation of antiphase…

While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…

We propose an experimental method to fully characterize the energy exchange of particles during the physical vapor deposition process of thin surface layers. Our approach is based on the careful observation of perturbations of the…