Related papers: Statistical measures applied to metal clusters: ev…
The increasing deformation in atomic nuclei leads to the change of the classical magic numbers (2,8,20,28,50,82..) which dictate the arrangement of nucleons in complete shells. The magic numbers of the three-dimensional harmonic oscillator…
The electronic structure of nanoscopic oxide-coated aluminum islands is investigated using a tight-binding model that incorporates the geometry, chemistry and disorder of the particle. The oxide coat is found to significantly increase the…
The size-dependent electronic, structural, magnetic and vibrational properties of small pure cop- per and silver clusters and their alloys with one and two palladium atoms are studied by using full-potential all-electron density functional…
Detailed numerical results for the structural properties of three-dimensional classical Coulomb clusters confined in a spherical parabolic trap are presented. Based on extensive high accuracy computer simulations the shell configurations…
We present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing…
Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122…
We present the results of over 90 tight-binding molecular-dynamics simulations of collisions between three- and five-atom silicon clusters, at a system temperature of 2000K. Much the most likely products are found to be two 'magic'…
The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. For $N = m+n \leq…
The CHEERS (CHEmical Enrichment RGS Sample) observations of clusters of galaxies with XMM-Newton have shown to be valuable to constrain the chemical evolution of the universe. The soft X-ray spectrum contains lines of the most abundant…
Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…
The cluster abundances are calculated from a quantum statistical approach taking into account in-medium corrections. For arbitrary cluster size the self-energy and Pauli blocking shifts are considered. Exploratory calculations are performed…
The quantum states of a system of particles in a finite spatial domain in general consist of a set of discrete energy eigenvalues; these are usually grouped into bunches of degenerate or close-lying levels, called shells. In fermionic…
Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…
There have been many empirical evindences which show that the single-particle picture holds to a good approximation in atomic nuclei. In this picture, protons and neutrons move independently inside a mean-field potential generated by an…
In an effort to build a stronger microscopic foundation for radiation damage models in gallium arsenide (GaAs), the electronic properties of radiation-induced damage clusters are studied with atomistic simulations. Molecular dynamics…
An electron diffraction technique is used to study the structure of clusters formed in an isentropically expanding supersonic argon jet. The formation of the hcp phase with increasing cluster size is reliably detected for the first time.…
Available X-ray data are collected and organized concerning the iron and gas content of galaxy clusters and groups, together with the optical luminosity, mass and iron abundance of cluster galaxies. Several astrophysical inferences are then…
The structural, electronic and magnetic properties of Co$_n$ clusters ($n=2-$20) have been investigated using density functional theory within the pseudopotential plane wave method. An unusual hexagonal growth pattern has been observed in…
An expansion of energy characteristics of wide thin slab of thickness L in power of 1/L is constructed using the free-electron approximation and the model of a potential well of finite depth. Accuracy of results in each order of the…
We numerically study the magnetization of small metallic clusters. The magnetic susceptibility is enhanced for lower electronic densities due to the stronger influence of electron-electron interactions. The magnetic susceptibility…