Related papers: Structure of Si12 Cluster
A sphere packing of the three-dimensional Euclidean space is compact if it has only tetrahedral holes, that is, any local maximum of the distance to the spheres is at equal distance to exactly four spheres. This papers describes all the…
In this contribution, we present evidence for the occurrence of triangular symmetry in cluster nuclei. We discuss the structure of rotational bands for 3-alpha and 3-alpha+1 configurations with triangular D(3h) symmetry by exploiting the…
Packing problems, which ask how to arrange a collection of objects in space to meet certain criteria, are important in a great many physical and biological systems, where geometrical arrangements at small scales control behaviour at larger…
Nuclear pores have an approximately uniform distribution in the nuclear envelope of most living cells. Hence, the morphology of the nuclear envelope is a spherical stomatocyte with a high genus. We have investigated the morphology of…
In situ morphological investigation of the {105} faceted Ge islands on the Si(001) surface (hut clusters) have been carried out using an ultra high vacuum instrument integrating a high resolution scanning tunnelling microscope and a…
Using pair potentials fitted to an ab--initio database, combined with replica--exchange simulated annealing, we show the complex, quasicrystal-related Al$_{11}$Ir$_4$ compound contains a new version of the "pseudo-Mackay" icosahedral…
In this paper, using the same geometrical approach than for the (2R3x2R3) R30{\deg} structure (H. Jamgotchian et al., 2015, Journal of Physics. Condensed Matter 27 395002), for the (R13xR13)R13.9{\deg} type II structure, we propose an…
An analysis of the structural properties of three-dimensional Coulomb clusters confined in a spherical parabolic trap is presented. Based on extensive high accuracy computer simulations the shell configurations and energies for particle…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
Single-crystal nanoparticles of silicon, several tens of nm in diameter, may be suitable as building blocks for single-nanoparticle electronic devices. Previous studies of nanoparticles produced in low-pressure plasmas have demonstrated the…
Density-functional theory based global geometry optimization is employed to systematically scrutinize the possibility of multi-doping of hydrogenated Si clusters in order to achieve high spin states beyond the septet limit of a single-atom…
Fundamental theories and models of many-body physics can be probed in experiments on ultracold atoms held in place by electromagnetic fields. In particular, of considerable interest are systems under curved confinement, since they can yield…
In this work, we foresee the structure of a new class of borophenes with smaller 2D densities of atoms than those explored so far for 2D boron crystals. Boron atoms in the porous borophenes tend to be $5$-coordinated in contrast to commonly…
We present new evidence supporting the quasi-unit cell description of the $Al_{72}Ni_{20}Co_{8}$ decagonal quasicrystal which shows that the solid is composed of repeating, overlapping decagonal cluster columns with broken 10-fold symmetry.…
An earlier paper describes a program to prove the Kepler conjecture on sphere packings. This paper carries out the second step of that program. A sphere packing leads to a decomposition of $R^3$ into polyhedra. The polyhedra are divided…
We propose a new approach to analysis of cathodoluminescence spectra of substrate-free nanoclusters of argon produced in a supersonic jet expanding into a vacuum. It is employed to analyze intensities of the luminescence bands of neutral…
Silica or SiO$_2$, the main constituent of earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphite like layered structure in 3D. Our theoretical analysis and numerical calculations from the…
We have attempted to find the global minima of clusters containing between 20 and 80 atoms bound by the Morse potential as a function of the range of the interatomic force. The effect of decreasing the range is to destabilize strained…
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the next-generation Si-based devices. After screening 230…
We have studied the packing of congruent disks on a spherical cap, for caps of different size and number of disks, $N$. This problem has been considered before only in the limit cases of circle packing inside a circle and on a sphere…