相关论文: Structure of Silicon Clusters
We present a study of the shape, size, and spatial orientation of superclusters of galaxies. Approximating superclusters by triaxial ellipsoids we show that superclusters are flattened, triaxial objects. We find that there are no spherical…
A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previous pair potential results, and observed differences between…
The rich variety of densest columnar structures of identical hard spheres inside a cylinder can surprisingly be constructed from a simple and computationally fast sequential deposition of cylinder-touching spheres, if the cylinder-to-sphere…
We compare, through first-principles pseudopotential calculations, the structural, electronic and optical properties of different size silicon nanoclusters embedded in a SiO2 crystalline or amorphous matrix, with that of free-standing,…
A detailed structural model for the indium-induced Si(111)-(4x1) surface reconstruction has been determined by analyzing an extensive set of x-ray-diffraction data recorded with monochromatic ($\hbar\omega$ = 9.1 keV) synchrotron radiation.…
Rich populations of clusters have been observed after femtosecond laser ablation of bulk silicon in vacuum. Size and velocity distributions of the clusters as well as their charge states have been analyzed by reflectron time-of-flight mass…
The formation history of rich clusters is investigated using a hybrid N-body simulation in which high spatial and mass resolution can be achieved self-consistently within a small region of a very large volume. The evolution of three massive…
Silicon nanoparticles are widely used in the medical area and until now they have not manifested toxicological effects in humans beings. In order to understand the physical properties that determine their low-toxicity, we perform ab initio…
Silicon materials play a key role in many technologically relevant fields, ranging from the electronic to the photovoltaic industry. A systematic search for silicon allotropes was performed by employing a modified ab initio minima hopping…
Novel extended networks of C8, Si8 and silicon carbide Si4C4 are proposed based on crystal chemistry rationale and optimized structures to ground state energies and derived physical properties within the density functional theory (DFT). The…
Density-functional theory is used to study the geometric and electronic structure of cationic Si16^+ clusters with a Ti, V or Cr dopant atom. Through unbiased global geometry optimization based on the basin-hopping approach we confirm that…
The interplay of $sp^2$- and $sp^3$-type bonding defines silicon allotropes in two- and three-dimensional forms. A novel two-dimensional phase bearing structural resembleance to a single MoS$_2$ layer is found to possess a lower total…
We determine the shape, multiplicity, size, and radial structure of superclusters in the LambdaCDM concordance cosmology from z = 0 to z = 2. Superclusters are defined as clusters of clusters in our large-scale cosmological simulation. We…
A stable core-shell structure with Ih symmetry, Au12@Au30, has been investigated by first-principles calculations. It is composed of an icosahedron core and an icosidodecahedron shell. The stability of the core-shell Au42 structure is…
The fluorescence of silicon clusters is reviewed. Atomic clusters of silicon have been at the focus of research for several decades because of the relevance of size effects for material properties, the importance of silicon in electronics…
We present new and exciting results on our search for large-scale structure at high redshift. Specifically, we have just completed a detailed analysis of the area surrounding the cluster CL0016+16 (z=0.546) and have the most compelling…
We study the cluster structure of 21Ne and 21Na within the framework of the cluster shell model (CSM) and show that they have a complex cluster structure with the coexistence of a 20Ne+n, 20}Ne+p structure and a 19Ne+2n, 19}F+2p structure.…
The alpha cluster states of 16C are investigated by using the antisymmetrized molecular dynamics. It is shown that two different types of alpha cluster states exist: triangular and linear-chain states. The former has an approximate…
We numerically study structural properties of mechanically stable packings of hard spheres (HS), in a wide range of packing fractions $0.53 \le \phi \le 0.72$. Detailed structural information is obtained from the analysis of orientational…
Si(331)-(12x1) is the only confirmed planar silicon surface with a stable reconstruction located between (111) and (110). We have optimized the annealing sequence and are able to obtain almost defect free, atomically precise surface areas…