Related papers: Surface-reconstructed Icosahedral Structures for L…
Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large $p$ character of Li leads to unexpected ionic structures. At N~25, a packing pattern…
Multi-component aggregates are being intensively researched in various fields because of their highly tunable properties and wide applications. Due to the complex configurational space of these systems, research would greatly benefit from a…
A new silicene-like family of reconstructed surfaces on Si111 are discussed which appears to be a polymorph to the well know family of surface reconstructions best epitomized by the 7x7 surface. Several experimental features are discussed…
Tight-binding molecular dynamic simulations have revealed that Si$_{12}$ is an icosahedron with all atoms on the surface of an approximately 5 \AA~ diameter sphere. This is the most spherical cage structure for silicon clusters in the 2-13…
Several commonly observed physical and biological systems are arranged in shapes that closely resemble an honeycomb cluster, that is, a tessellation of the plane by regular hexagons. Although these shapes are not always the direct product…
In our work, we have proposed the arcade structures as minimum dissipative relaxed states (including both the viscous and resistive channels) pertaining to a two-fluid description of the plasma. The obtained relaxed state is non force-free…
The Woods-Saxon-Gaussian (WSG) potential is proposed as a new phenomenological potential to describe systematically the level scheme, electromagnetic transitions, and alpha-decay half-lives of the alpha-cluster structures in various…
The alkali halides, known as ionic crystals, have the NaCl-type or CsCl-type structure as the ground state. We study the structural, vibrational, and electronic properties of two-dimensional (2D) ionic crystals from first-principles. Two…
The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…
We have studied and resolved occupancy correlations in the existing average structure model of the complex metallic alloy xi'-Al-Pd-Mn [Boudard et al., Phil. Mag. A, 74, 939 (1996)], which has approximately 320 atoms in the unit cell and…
We use density functional theory to quantify finite size and shape effects for gold nanoclusters. We concentrate on the computation of binding energy as a function of bond length for icosahedral and cuboctohedral clusters. We find that the…
The effects of shell closure in nuclei via the cluster decay is studied. In this context, we have made use of the Preformed Cluster Model ($PCM$) of Gupta and collaborators based on the Quantum Mechanical Fragmentation Theory. The key point…
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…
A series of electronic and structural transitions are predicted in molten lithium from first principles. A new phase with tetrahedral local order characteristic of $sp^3$ bonded materials and poor electrical conductivity is found at…
A simple pair potential, which equilibrium pair separation can be varied under a fixed interaction range, has been proposed. The new potential can make both face-centered-cubic(fcc) and body-centered-cubic(bcc) structure stable by simply…
The possibility of the $^{14}$C cluster being a basic building block of medium mass nuclei is discussed. Although $\alpha$ cluster structures have been widely discussed in the light $N\approx Z$ mass region, the neutron to proton ratio…
Bimetallic nanoparticles (often known as nanoalloys) with core-shell arrangement are of special interest in several applications, such as in optics, catalysis, magnetism and biomedicine. Despite wide interest in applications, the physical…
The QCD quark cyclobutadiene (ring-like), a new color structure of tetraquark system, is proposed and studied in the flux tube model with multi-body confinement potential. The QCD quark cyclobutadiene and other flux tube structures of…
The formation of quasi-spherical cages from protein building blocks is a remarkable self-assembly process in many natural systems, where a small number of elementary building blocks are assembled to build a highly symmetric icosahedral…
Cluster structure in stable and unstable nuclei has been studied. We report recent developments of theoretical studies on cluster aspect, which is essential for structure study of light unstable nuclei. We discuss negative parity bands in…