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Quasi-1D materials Bi$_{4}$X$_{4}$ (X=Br,I) are prototype weak topological insulators (TI) in the $\beta$ phase. For the $\alpha$ phases, recent high-throughput database screening suggests that Bi$_{4}$Br$_{4}$ is a rare higher-order TI…
This article comprises three sections. Section 2 starts with a review of ab initio no-core shell model calculations by Monte Carlo Shell Model. Alpha clustering arises for 8,10,12Be and 12C with Daejeon16 and JISP16 interactions, even in…
We report the discovery of a new binary icosahedral phase in a Sc-Zn alloy obtained through solution-growth, producing millimeter-sized, facetted, single grain, quasicrystals that exhibit different growth morphologies, pentagonal…
We apply systematic methods previously used by Mihalkovic et al. to predict the structure of the `basic' Co-rich modification of the decagonal Al70 Co20 Ni10 layered quasicrystal, based on known lattice constants and previously calculated…
We investigate a model of globally coupled conservative oscillators. Two different algebraic potentials are considered that display in the canonical ensemble either a second ($\phi^{4}$) or both a second and a first order phase transition…
The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…
Spin-polarized DFT has been used to perform a comprehensive study of the geometric structures and electronic properties for isolated M4X4 nano-clusters between their two stable isomers - a planar rhombus-like 2D structure and a cubane-like…
Well-resolved galaxy clusters often show a large-scale quasi-spiral structure in deprojected density $\rho$ and temperature $T$ fields, delineated by a tangential discontinuity known as a cold front, superimposed on a universal radial…
We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals it is essential to treat the number of lattice sites as a constraining…
Quasicrystals can be considered, from the point of view of their electronic properties, as being intermediate between metals and insulators. For example, experiments show that quasicrystalline alloys such as AlCuFe or AlPdMn have…
Motivated by the unexplored complexity of phases present in the multiorbital Hubbard model, we analyze in this work the behavior of a degenerate two-orbital anisotropic Hubbard model at half filling where both orbitals have equal bandwidths…
The persistence of $\alpha+\alpha+t$ cluster configuration in the ground state of $^{11}$B is discussed. The $\alpha$ particles emitted from excited states of $^{12}$C could be utilized for cancer treatment, where the cluster states are…
Recent experiments have demonstrated a working cell suitable for implementing the Quantum-dot Cellular Automata (QCA) paradigm. These experiments have been performed using metal island clusters. The most promising approach to QCA operation…
We match analytic results to numerical calculations to provide a detailed picture of the metal-insulator and topological transitions found in density functional plus cluster dynamical mean-field calculations of pyrochlore iridates. We…
In the window approach to quasicrystals, the atomic position space E_parallel is embedded into a space E^n = E_parallel + E_perp. Windows are attached to points of a lattice Lambda \in E^n. For standard 5fold and icosahedral tiling models,…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
A quasiperiodic packing Q of interpenetrating copies of C, most of them only partially occupied, can be defined in terms of the strip projection method for any icosahedral cluster C. We show that in the case when the coordinates of the…
If particles interact according to isotropic pair potentials that favor multiple length scales, in principle a large variety of different complex structures can be achieved by self-assembly. We present, motivate, and discuss a conjecture…
The temperature evolution of icosahedral medium-range order formed by interpenetrating icosahedra in CuZr metallic glass-forming liquids was investigated via molecular dynamics simulations. Scaling analysis based on percolation theory was…
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…