Related papers: The Oxygen core inside the Magnesium isotopes
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and systematic post-Hartree-Fock many-body…
We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit…
In magnesium alloys with multiple substitutional elements, solute segregation at grain boundaries (GBs) has a strong impact on many important material characteristics, such as GB energy and mobility, and therefore, texture. Although it is…
Finite magnesium oxide nanotubes are investigated. Stacks of four parallel squares, hexagons, octagons, and decagons are constructed and studied by the pseudopotential density functional theory within the local-density approximation.…
We analyse how the spatial localisation properties of pairing correlations are changing in a major neutron shell of heavy nuclei. It is shown that the radial distribution of the pairing density depends strongly on whether the chemical…
A comprehensive study of various ground-state properties of neutron-rich and neutron-deficient Mg isotopes with $A$=20-36 is performed in the framework of the self-consistent deformed Skyrme-Hartree-Fock plus BCS method. The correlation…
The spectra of mass-11 nuclei are unusual, and so pose a challenge for theoretical models of their structure. The set of isobars range from being well bound to nucleon emission (11B,11C) through weakly bound (11Li, 11Be), with the former…
An empirical potential with fluctuating charges is proposed for modelling (MgO)_n clusters in both the molecular (small n) and bulk (n->infty) regimes. Vectorial polarization forces are explicitely taken into account in the self-consistent…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…
A set of moderately deformed $s-d$ shell nuclei is employed for testing the reliability of the nuclear ground state wave functions which are obtained in the context of a BCS approach and offer a simultaneous consideration of deformation and…
Background: Pairing correlations play a critical role in determining numerous properties of open-shell nuclei. Traditionally, they are included in a mean-field description of atomic nuclei through the approximate Bardeen-Cooper-Schrieffer…
A sensitive correlation between the ground-state properties of light kaonic nuclei and the symmetry energy at high densities is constructed under the framework of relativistic mean-field theory. Taking oxygen isotopes as an example, we see…
Local structure of Mn atoms in Ga1-xMnxN has been investigated by the Mn L3 edge x-ray absorption spectrum (XAS) at total electron yield mode, which preferentially looks at atoms near the surface. A modeling defects configuration, the Mn5…
We have constructed a Lagrangian model (SIG-OM) with coupling of sigma and omega mesons in the relativistic mean-field theory. Properties of finite nuclei and nuclear matter have been explored with the new Lagrangian model. The study shows…
Atomic-scale calculations indicate that both stress effects and chemical binding contribute to the redistribution of solute in the presence of vacancy clusters in magnesium alloys. As the size of the vacancy cluster increases, chemical…
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local…
The surface magnetization of the quantum XY chain in a transverse field is found for arbitrary nearest neighbour interactions in closed form. This allows to derive the bulk phase diagram in a simple way. The magnetic surface behaviour and…
Asymmetric nuclear matter is studied in the frame of relativistic mean-field theory, using scalar-isoscalar sigma, vector-isoscalar omega meson together with their selfinteractions, vector-isovector rho meson with its cross-interaction with…
We apply recently developed effective field theory nuclear models in mean field approximation (parameter sets G1 and G2) to describe ground-state properties of nuclei from the valley of $\beta$-stability up to the drip lines. For faster…
We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…