Abstract: The fundamental issue in understanding the origin and
growth mechanism of nanomaterials, from a fundamental unit is a big
challenging problem to the scientists. Recently, an immense attention
is generated to the researchers for prediction of exceptionally stable
atomic cluster units as the building units for future smart materials.
The present study is a systematic investigation on the stability and
electronic properties of a series of bimetallic (semiconductor-alkaline
earth) clusters, viz., BxMg3 (x=1-5) is performed, in search for
exceptional and/ or unusual stable motifs. A very popular hybrid
exchange-correlation functional, B3LYP along with a higher basis
set, viz., 6-31+G[d,p] is employed for this purpose under the density
functional formalism. The magic stability among the concerned
clusters is explained using the jellium model. It is evident from the
present study that the magic stability of B4Mg3
cluster arises due to
the jellium shell closure.
Abstract: Inspired by the recent experiments [1]-[3] indicating
unusual doubly magic nucleus 24O which lies just at the neutron
drip-line and encouraged by the success of our relativistic mean-field
(RMF) plus state dependent BCS approach for the description of
the ground state properties of the drip-line nuclei [23]-[27], we have
further employed this approach, across the entire periodic table, to
explore the unusual shell closures in exotic nuclei. In our RMF+BCS
approach the single particle continuum corresponding to the RMF is
replaced by a set of discrete positive energy states for the calculations
of pairing energy. Detailed analysis of the single particle spectrum,
pairing energies and densities of the nuclei predict the unusual proton
shell closures at Z = 6, 14, 16, 34, and unusual neutron shell closures
at N = 6, 14, 16, 34, 40, 70, 112.