Related papers: Atomic structure of Ge quantum dots on the Si(001)…
We investigate the initial stage of the 2D-3D transition of strained Ge layers deposited on pit-patterned Si(001) templates. Within the pits, which assume the shape of inverted, truncated pyramids after optimized growth of a Si buffer…
We propose a new geometrical model of matter, in which neutral atoms are modelled by compact, complex algebraic surfaces. Proton and neutron numbers are determined by a surface's Chern numbers. Equivalently, they are determined by…
The problem addressed here can be concisely formulated as follows: given a stable surface orientation with a known reconstruction and given a direction in the plane of this surface, find the atomic structure of the steps oriented along that…
We report on a combined scanning tunneling microscopy (STM) and density functional theory (DFT) based investigation of Co atoms on Ge(111)2x1 surfaces. When deposited on cold surfaces, individual Co atoms have a limited diffusivity on the…
We have located the global minimum for all lead clusters with up to 160 atoms using a glue potential to model the interatomic interactions. The lowest-energy structures are not face-centred cubic as suggested previously. Rather, for N<40…
Creating materials with structure that is independently controllable at a range of scales requires breaking naturally occurring hierarchies. Breaking these hierarchies can be achieved via the decoupling of building block attributes from…
A c($3\sqrt{2} \times \sqrt{2}$) reconstructed structure of the Fe(001) surface with self-assembled C zigzag chains has been recently observed experimentally. Using ab initio density-functional calculations, we address the effect of the C…
Recent measurements of the scattering of He and Ne atoms at Rh(110) suggest that these two rare-gas atoms measure a qualitatively different surface corrugation: While Ne atom scattering seemingly reflects the electron-density undulation of…
It is shown that the rotational band structure of the cluster states in 12C and 16O can be understood in terms of the underlying discrete symmetry that characterizes the geometrical configuration of the alpha-particles, i.e. an equilateral…
Recent photoemission experiments on the Si(553)-Au reconstruction show a one-dimensional band with a peculiar ~1/4 filling. This band could provide an opportunity for observing large spin-charge separation if electron-electron interactions…
The shape of crystalline nanoparticles (NP) can often be described by polyhedra with flat facet surfaces. Thus, structural studies of polyhedral bodies can help to describe geometric details of NPs. Here we consider compact polyhedra of…
The excited states of Be-12, Be-14 and B-15 have been studied with a method of antisymmetrized molecular dynamics. In the predicted excited states we find novel molecule-like structures with very exotic clusters such as 6He+8He in Be-14 and…
We theoretically study the interaction of a heavy hole with nuclear spins in a quasi-two-dimensional III-V semiconductor quantum dot and the resulting dephasing of heavy-hole spin states. It has frequently been stated in the literature that…
We discuss a generalization of the surface reconstruction arguments for the structure of intermediate size Si clusters, which leads to model geometries for the sizes 33, 39 (two isomers), 45 (two isomers), 49 (two isomers), 57 and 61 (two…
Low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoelectron spectroscopy have been used to study an ordered structure formed by Ge atoms deposited onto the Au(111) surface. Based on a careful analysis of…
The interaction of Mn with Ge quantum dots (QD), which are bounded by {105} facets, and the strained Ge wetting layer (WL), terminated by a (001) surface, is investigated with scanning tunneling microscopy (STM). Mn is deposited on the Ge…
We have performed shell-model calculations for the three odd-odd nuclei 100In, 102In, and 98Ag, with neutron particles and proton holes around 100Sn. We have used a realistic effective interaction derived from the CD-Bonn nucleon-nucleon…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…
First-principles DFT levels of calculations have been carried out in order to study the structural stability and electronic properties of hydrogen passivated graphene (H-graphene) clusters. Two different shaped clusters, rectangular and…
The notion of quantum embedding is considered for two classes of examples: quantum coadjoint orbits in Lie coalgebras and quantum symplectic leaves in spaces with non-Lie permutation relations. A method for constructing irreducible…