Related papers: Caged clusters in Al$_{11}$Ir$_4$: structural tran…
In a recent paper, Zhang et al. [Acta Materialia 152 (2018) 96] studied the in-plane ordering of the long-period stacking ordered (LPSO) structure in Mg-Al-Y alloys. In addition to the well-known L12 type building cluster, they proposed…
The discovery of new low-dimensional transition metal chalcogenides is contributing to the already prosperous family of these materials. In this study, needle-shaped single crystals of a new quasi-one-dimensional material…
The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations…
Phase transitions inside the pores of an aerogel are investigated by modelizing the aerogel structure by diffusion-limited cluster-cluster aggregation on a cubic lattice in a finite box and considering $q$-states Potts variables on the…
A cubic structure of polymer colloid complexes is studied. The technique of the research includes i) an analysis of well-known literature SAXS data; on this base, at some assumptions, ii) constructing a simple model to estimate geometric…
We present schemes to prepare two-dimensional cluster states [H. J. Briegel and R. Raussendorf, Phys. Rev. Lett. {\bf 86}, 910 (2001)] with atomic ions confined in a micro-structured linear ion trap and coupled by an engineered spin-spin…
Recent experiments discovered an order-disorder transition occuring at low temperatures in large unit 1/1 cell cubic approximants of the stable Cd-based binary alloy quasicrystals. The transition is related to correlations among…
Ebert et al. [Phys. Rev. Lett. 77, 3827 (1996)] have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in-situ by scanning tunneling microscopy (STM). Globular patterns in the…
We study the $\alpha + \alpha + {}^{3}$He cluster structure of ${}^{11}$C within the microscopic cluster model. The calculations essentially reproduce the energy spectra for both negative and positive parity states, particularly the…
In the Al-Co-Cu alloy system, both the decagonal quasicrystal with the space group of $P\overline{10}m2$ and its approximant Al$_{13}$Co$_4$ phase with monoclinic $Cm$ symmetry are present around 20 at.% Co-10 at.% Cu. In this study, we…
The BaAl$_4$ prototype crystal structure is the most populous of all structure types, and is the building block for a diverse set of sub-structures including the famous ThCr$_2$Si$_2$ family that hosts high-temperature superconductivity and…
We have carried out a detailed first-principles study of a d$^{4.5}$ quaternary iridate Ba$_3$YIr$_2$O$_9$ both in its 6H-perovskite-type ambient pressure (AP) phase and also for the high pressure (HP) cubic phase. Our analysis reveals that…
Topological classification in our previous paper [K. Shiozaki and M. Sato, Phys. Rev. B ${\bf 90}$, 165114 (2014)] is extended to nonsymmorphic crystalline insulators and superconductors. Using the twisted equivariant $K$-theory, we…
A structure model of atoms of two sizes, interacting with Lennard-Jones potentials and simulated by molecular dynamics, was observed to freeze into a decagonal quasicrystal dominated by Frank-Kasper coordination shells and closely related…
The main goal of this paper is to show that the (multi-homogeneous) coordinate ring of a partial flag variety $\mathbb{C} [G / P_K^{-}]$ admits a cluster algebra structure if $G$ is any simply-connected semisimple complex algebraic group.…
In the binary-alloy with composition A$_x$B$_{1-x}$ of two atoms with ionic energy scales $\pm\Delta$, an apparent Ander- son insulator (AI) is obtained as a result of randomness in the position of atoms. Using our recently developed…
Monte Carlo computer simulations of a quasi two dimensional (2D) dipolar fluid at low and intermediate densities indicate that the structure of the fluid is well described by an ideal mixture of self-assembling clusters. A detailed analysis…
Colloidal crystals are used to understand fundamentals of atomic rearrangements in condensed matter and build complex metamaterials with unique functionalities. Simulations predict a multitude of self-assembled crystal structures from…
Quadrupole topological insulators are a new class of topological insulators with quantized quadrupole moments, which support protected gapless corner states. The experimental demonstrations of quadrupole-topological insulators were reported…
Classical molecular dynamics simulation with embedded atom method potential had been performed to investigate the surface structure and solidification morphology of aluminum nanoclusters Aln (n = 256, 604, 1220 and 2048). It is found that…