Related papers: Long-range electronic interactions between adatoms…
We carried out density functional theory calculations to model the electronic structure and the magnetic interactions in copper doped anatase and rutile titanium dioxide in order to shed light on the potential of these systems as magnetic…
Using scanning tunneling microscopy at low temperatures we investigated the adsorbate system Cu(111)-Cs for various cesium coverages. At low coverages we observe a hexagonally ordered Cs adsorption layer with a mutual adsorbate distance of…
We investigate by means of ab initio electronic structure analysis and Quantum Monte Carlo calculations the scenario where longer-ranged magnetic interactions dominate over short-ranged interactions in the physical description of compounds.…
By using long-range interacting polygons, we experimentally probe the coupling between particle shape and long-range interaction. For two typical space-filling polygons, square and triangle, we find two types of coupling modes that…
We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…
Magnetic adatoms on surfaces are exchange coupled to their environment, inducing fast relaxation of excited spin states and decoherence. These interactions can be suppressed by inserting decoupling layers between the magnetic adsorbate and…
It is well known that electron-electron interaction in disordered systems leads to logarithmically divergent Altshuler-Aronov corrections to conductivity at low temperatures ($T\tau\ll 1$; $\tau$ is the elastic mean-free time). This paper…
Single cobalt atoms on the (111) surfaces of noble metals were for a long time considered prototypical systems for the Kondo effect in scanning tunneling microscopy experiments. Yet, recent first-principle calculations suggest that the…
Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…
We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the…
Oxidation strongly influences the properties of magnetic layers employed in spintronic devices. We study the effect of oxidation on the structural, magnetic, and electrical properties as well as current-induced spin-orbit torques (SOTs) in…
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations for the Co adatom on the top of Cu(001) surface. For the Co atom $d$-shell occupation $n_d \approx$ 8, a singlet…
We show that arbitrarily weak interparticle interactions destabilize the surface states of 3D topological superconductors with spin SU(2) invariance (symmetry class CI), in the presence of non-magnetic disorder. The conduit for the…
We study the adsorption geometry of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) on Ag(111) and Cu(111) using X-ray standing waves. The element-specific analysis shows that the carbon core of the molecule adsorbs in a planar…
The electronic structure of Si(110)"16 x 2" double-domain, single-domain and 1 x 1 surfaces have been investigated using spin- and angle-resolved photoemission at sample temperatures of 77 K and 300 K. Angle-resolved photoemission was…
The transfer of electrons between a solid surface and adsorbed atomic or molecular species is fundamental in natural and synthetic processes, being at the heart of most catalytic reactions and many sensors. In special cases, metallic…
This article reports a comparative study of bulk and surface properties in the transition metal dichalcogenide 1T-TaS$_2$. When heating the sample, the surface displays an intermediate insulating phase that persists for $\sim 10$ K on top…
We review our recent work on the simulation, description and prediction of spin-excitations in adatoms and dimers deposited on metallic surfaces. This work done together with Douglas L. Mills, is an extension of his seminal contribution…
The electron spin polarization (ESP) of the L-gap surface states on Au(111) is investigated theoretically by means of first-principles electronic-structure and photoemission calculations. The surface states show a large spin-orbit induced…
We present trends in the multilayer relaxations of several vicinals of Cu(100) and Cu(111) of varying terrace widths and geometry. The electronic structure calculations are based on density functional theory in the local density…