Related papers: Self-consistent study of electron confinement to m…
A central challenge in nanoscale superconductivity is to understand and exploit the combined action of quantum confinement and proximity effects in experimentally realistic metallic heterostructures. We theoretically investigate…
Electrons can form a two-dimensional electron gas at metal surfaces, where lateral confinement leads to quantum-well states. Such states have been observed for highly itinerant electrons, but it remains an open question whether quantum-well…
To date, several experimental groups reported measurements of the thickness dependence of T_c of atomically uniform single-crystalline Pb nanofilms. The reported amplitude of the T_c-oscillations varies significantly from one experiment to…
The type I superconductor lead (Pb) has been theoretically predicted to be a two-band superconductor. We use scanning tunneling spectroscopy (STS) to resolve two superconducting gaps with an energy difference of 150$\,\mu$eV. Tunneling into…
Harnessing the optical properties of noble metals down to the nanometer-scale is a key step towards fast and low-dissipative information processing. At the 10-nm length scale, metal crystallinity and patterning as well as probing of surface…
A novel mathematical model for fiber-reinforced materials is proposed. It is based on a 1-dimensional beam model for the thin fiber structures, a flexible and general 3-dimensional elasticity model for the matrix and an overlapping domain…
In this chapter we introduce a microscopic modelling of the surplus electrons on the plasma wall which complements the classical description of the plasma sheath. First we introduce a model for the electron surface layer to study the…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic…
Crystalline nanoporous molecular networks are assembled on the Ag(111) surface, where the pores confine electrons originating from the surface state of the metal. Depending on the pore sizes and their coupling, an antibonding level is…
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…
Adsorption of para-hydrogen films on Alkali metals substrates at low temperature is studied theoretically by means of Path Integral Monte Carlo simulations. Realistic potentials are utilized to model the interaction between two…
Rock-salt lead selenide nanocrystals can be used as building blocks for large scale square superlattices via two-dimensional assembly of nanocrystals at a liquid-air interface followed by oriented attachment. Here we report measurements of…
Highly confined "spoof" surface plasmon-like (SSP) modes are theoretically predicted to exist in a perforated metal film coated with a thin dielectric layer. Strong modes confinement results from the additional waveguiding by the layer.…
The Niobium surface is almost always covered by a native oxide layer which greatly influences the performance of superconducting devices. Here we investigate the highly stable Niobium oxide overlayer of Nb(110), which is characterised by…
A density functional theory study of NbSe$_2$ single-layers in the normal non-modulated and the $3\times3$ CDW states is reported. We show that, in the single layer, the CDW barely affects the Fermi surface of the system, thus ruling out a…
Molecular Dynamics simulations are reported for the structural and thermodynamic properties of submonolayer xenon adsorbed on the $(111)$ surface of platinum for temperatures up to the (apparently incipient) triple point and beyond. While…
He atom scattering has been shown to be a sensitive probe of electron-phonon interaction properties at surfaces. Here it is shown that measurements of the thermal attenuation of the specular He atom diffraction peak (the Debye-Waller…
Supported metal nanoparticle (NP) catalysts are vital for the sustainable production of chemicals, but their design and implementation are limited by the ability to identify and characterize their structures and atomic sites that are…
Here we a present a density functional theory study of pentacene ultra-thin films on flat [(111)] and vicinal [(455)] Au surfaces. We have performed crystal and electronic structure calculations by using PBE and optB86b-vdW functionals and…