Related papers: Caged clusters in Al$_{11}$Ir$_4$: structural tran…
We examine the favoured cluster structures for two new potentials, which both behave as monatomic model glass-formers in bulk. We find that the oscillations in the interatomic potential lead to global minima that are non-compact…
We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…
The structural properties of the simulated $\rm Cu_{\alpha}Zr_{1-\alpha}$ glassy alloys are studied in the wide range of the copper concentration $\alpha$ to clarify the impact of the composition on the number density of the icosahedral…
Nuclear clustering describes the appearance of structures resembling smaller nuclei such as alpha particles (4He nuclei) within the interior of a larger nucleus. While clustering is important for several well-known examples, much remains to…
We have discovered a new compound of the composition ScPd2Al3 crystallizing in unknown structure type. Moreover, ScPd2Al3 reveals polymorphism. We have found an orthorhombic crystal structure at room temperature and a high temperature cubic…
The two-component cold atom systems with anisotropic hopping amplitudes can be phenomenologically described by a two-dimensional Ising-XY coupled model with spatial anisotropy. At low temperatures, theoretical predictions [Phys. Rev. A 72,…
We obtain the phase-diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use clusters from 2-12 sites and lattices at the thermodynamic limit.…
Neutron powder diffraction experiment has been performed on the quasicrystal approximant Au$_{72}$Al$_{14}$Tb$_{14}$, a body-center-cubic crystal of icosahedral spin clusters. The long-range antiferromagnetic order was confirmed at the…
We investigate "chimera" states in a ring of identical phase oscillators coupled in a time-delayed and spatially non-local fashion. We find novel "clustered chimera" states that have spatially distributed phase coherence separated by…
Cluster multipole orderings composed of atomic high-rank multipole moments are theoretically investigated with a 5$d$-electron compound Ca$_5$Ir$_3$O$_{12}$ in mind. Ca$_5$Ir$_3$O$_{12}$ exhibits two hidden orders: One is an…
Starting from the Zn17Sc3 cubic approximant, new quasicrystal alloys were searched by replacement of Zn with transition elements, T. In the cases of T=Mn, Fe, Co and Ni, new icosahedral quasicrystals are formed in as-cast alloys as major…
We study why gold forms planar and cage-like clusters while copper and silver do not. We use density functional theory and norm-conserving pseudo-potentials with and without a scalar relativistic component. For the exchange-correlation…
We theoretically and numerically studied ordering of "colloidal ionic clusters" on periodic substrate potentials as those generated by optical trapping. Each cluster consists of three charged spherical colloids: two negatively and one…
We propose a structural path for the icosahedra <-> fcc transition in clusters and demonstrate the transition in Pb_13 by ab initio molecular-dynamics simulation. The proposed path can be described by using only two variables. The energy…
In this paper we report the structure of the Li4Ge4 cluster as a function of charge transfer and polarizability. We find that for small charge transfer (Q < 0.5) this cluster has the expected cubic structure: a Ge4 tetrahedron with a Li ion…
The rich variety of phase transitions observed in the strained p-SiGe system are considered and compared. It is shown that the integer quantum Hall effect transitions, the Hall insulating transition and the re-entrant transition into an…
It is shown that tiling in icosahedral quasicrystals can also be properly described by cyclic twinning at the unit cell level. The twinning operation is applied on the primitive prolate golden rhombohedra, which can be considered a result…
Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this…
An Ising model with competing interaction is used to study the appearance of incommensurate phases in the basal plane of an hexagonal closed-packed structure. The calculated mean-field phase diagram reveals various 1q-incommensurate and…
The plateau phase transition in quantum anomalous Hall (QAH) insulators corresponds to a quantum state wherein a single magnetic domain gives way to multiple magnetic domains and then re-converges back to a single magnetic domain. The layer…