相关论文: Hybridization Mechanism for Cohesion of Cd-based Q…
Structural studies on the icosahedral quasicrystals in Zn-Mg-Sc, Cu-Ga-Mg-Sc, and Zn-Mg-Ti alloys as well as their corresponding 1/1 cubic approximants, have revealed that these quasicrystals belong to a new structural group similar to…
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…
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…
Using first-principles density functional theory based calculations, we analyze the structural stability of small clusters of 3$d$ late transition metals. We consider the relative stability of the two structures - layer-like structure with…
The discovery of quasicrystals phases and approximants in Al(rich)-Mn system has revived the interest for complex aluminides containing transition-metal atoms. On one hand, it is now accepted that the Hume-Rothery stabilization plays a…
The three-flavor crystalline color-superconducting (CCS) phase of quantum chromodynamics (QCD) is a candidate phase for the ground state of cold matter at moderate densities above the density of the deconfinement phase transition. Apart…
We extend the Weak Crystallization theory to the case of metallic alloys. The additional ingredient -- itinerant electrons -- generates nontrivial dependence of free energy on the angles between ordering wave vectors of ionic density. That…
The stability of a quasicrystalline structure, recently obtained in a molecular-dynamics simulation of rapid cooling of a binary melt, is analyzed for binary hard-sphere mixtures within a density-functional approach. It is found that this…
The binary (simple metal) phase diagram Au-Cd contains a number of intermetallic compounds with various distortions, superlattices and vacancies. To understand the reasons of these structural complexities and their phase stability, we…
This article presents a detailed investigation of solid-fluid phase coexistence in a bilayer dusty plasma crystal subjected to varying confinement ring bias voltages in a DC glow discharge argon plasma. Melamine formaldehyde particles were…
We investigate the necessary features of the pair interaction for the stabilization of self-assembled quantum quasicrystals in two-dimensional bosonic systems. Unlike the classical scenario, our results show that two-dimensional octagonal,…
Due to their aperiodic nature, quasicrystals are one of the least understood phases in statistical physics. One significant complication they present in comparison to their periodic counterparts is the fact that any quasicrystal can be…
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…
Numerous experimental indications suggest that the Hume-Rothery mechanism plays an important role in stabilizing quasicrystalline and amorphous phases. However, the exponential damping of the conventional Friedel oscillations at the…
The exponentially strong damping of the conventional Friedel oscillations at elevated temperature T as well as due to disorder poses a severe problem to the Hume-Rothery (HR) stabilization mechanism of amorphous and quasicrystalline alloys.…
A P-type icosahedral quasicrystal is formed in Au-Al-Yb alloy of which 6-dimensional lattice parameter a6D = 7.448 {\AA}. The composition of the quasicrystal was analyzed to be Au51Al34Yb15. This quasicrystal is formed in as-cast alloys,…
We explore the behavior of two-dimensional patchy colloidal particles with 8 or 10 symmetrically arranged patches by employing Monte-Carlo simulations. The particles interact according to an isotropic pair potential that possesses only one…
Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16) was experimentally found under high pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups IV (Si, Ge)…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
The discovery of quasicrystals with crystallographically forbidden rotational symmetries has changed the notion of the ordering in materials, yet little is known about the dynamical emergence of such exotic forms of order. Here we…