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We investigate the properties of a linear ion crystal in a combination of quadratic and quartic potentials. Both the discrete and the continuous model are employed to explore the homogeneity of a linear ion crystal by controlling the…
A novel kind of crystal order in high-density nanoconfined bilayer ice is proposed from molecular dynamics and density-functional theory simulations. A first-order transition is observed between a low-temperature proton-ordered solid and a…
The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic…
In supercooled liquids, vitrification generally suppresses crystallization. Yet some glasses can still crystallize despite the arrest of diffusive motion. This ill-understood process may limit the stability of glasses, but its microscopic…
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…
The ground state of hard-core bosons on the square lattice with nearest and next-nearest neighbor repulsion is studied by Quantum Monte Carlo simulations. A supersolid phase with vacancy condensation and 'star' diagonal ordering is found…
Functionalities in crystalline materials are determined by 3-dimensional collective interactions of atoms. The confinement of dimensionality in condensed matter provides an exotic research direction to understand the interaction of atoms,…
The liquid-to-ordered phase transition in a bilayer system of fermions is studied within the context of a recently proposed density-functional theory [Phys. Rev. A {\bf 92}, 023614 (2015)]. In each two-dimensional layer, the fermions…
An analytical calculation of the interaction geometry of two interlinked second-order nonlinear processes fulfilling phase-matching conditions is presented. The method is developed for type-I uniaxial crystals and gives the positions on a…
The phase diagram of a system of monodispersed hard rectangles of size $m\times m k$ on a square lattice is numerically determined for $m=2,3$ and aspect ratio $k= 1,2,\ldots, 7$. We show the existence of a disordered phase, a nematic phase…
Bilayer crystals, built by stacking crystalline monolayers, generate interlayer potentials that govern excitonic phenomena but are constrained by fixed covalent lattices and orientations. Replacing one layer with an atomically thin…
Vertically stacked atomic layers from different layered crystals can be held together by van der Waals forces, which can be used for building novel heterostructures, offering a platform for developing a new generation of atomically thin,…
The pattern development of multiple cracks in extremely anisotropic solids such as bilayer or multilayer two-dimensional (2D) crystals contains rich physics, which, however, remains largely unexplored. We studied crack interaction across…
The phase diagram of soft spheres with size dispersion has been studied by means of an optimized Monte Carlo algorithm which allows to equilibrate below the kinetic glass transition for all sizes distribution. The system ubiquitously…
We investigate topological phases in two-dimensional Bi/Sb honeycomb crystals considering planar, buckled, freestanding and deposited on a substrate structures. We use the multi-orbital tight-binding model and compare results with density…
The glass transition of mesoscopic charged particles in two-dimensional confinement is studied by mode-coupling theory. We consider two types of effective interactions between the particles, corresponding to two different models for the…
We report simulations on the homogeneous liquid-fcc nucleation of charged colloids for both low and high contact energy values. As a precursor for crystal formation, we observe increased local order at the position where the crystal will…
The effective interaction between charged colloidal particles confined between two planar like-charged walls is investigated using computer simulations of the primitive model describing asymmetric electrolytes. In detail, we calculate the…
The equilibrium phase diagram of a 1:1 symmetrical mixture composed of oppositely charged colloids is calculated using Monte Carlo simulations. We model the system by the DLVO effective interaction potential. The phase diagram is similar to…
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the…