Related papers: Metastability relationship between two- and three-…
The cubic blue phases of liquid crystals are fascinating and technologically promising examples of hierarchically structured soft materials, comprising ordered networks of defect lines (disclinations) within a liquid crystalline matrix. We…
The layered RuBr3-RuI3 honeycomb system was synthesized at high-pressures. The crystal structures are centrosymmetric (space group R-3), and based on honeycomb layers of Ru$^{3+}$ (S=1/2). Their basic physical properties are surveyed. The…
This work examines the mechanical behavior of three-layer plates with a tetrachiral honeycomb core and solid face layers under static bending conditions. The influence of discretization, relative density, and thickness of the honeycomb core…
The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds. By analyzing 6 prototypical binary transition-metal…
Although many binary compounds have the B2 (CsCl-type) structure in the thermodynamic phase diagram, an origin of the structural stability is not understood well. Here, we focus on 416 compounds in the B2 structure extracted from the…
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…
Chalcogenide perovskites, particularly II-IV ABS3 compounds, are a promising class of materials for optoelectronic applications. However, these materials frequently exhibit instability in two respects: 1) a preference for structures…
In Al2O3 suspensions, depending on the experimental conditions very different microstructures can be found, comprising fluid like suspensions, a repulsive structure, and a clustered microstructure. For technical processing in ceramics, the…
The formation of correlated structures is of importance in many diverse contexts such as strongly coupled plasmas, soft matter, and even biological mediums. In all these contexts the dynamics are mainly governed by electrostatic…
The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values for the range of the potential, with the aim of investigating the conditions under which a…
Silver-based chalcohalide anti-perovskites (CAP), Ag$_{3}$BC (B = S, Se; C = Cl, Br, I), represent an emerging family of energy materials with intriguing optoelectronic, vibrational and ionic transport properties. However, the structural…
Refractory high entropy alloys containing elements from the Ti, V and Cr columns of the periodic table form body centered cubic (BCC) structures. Elements from the Ti column are noteworthy because they take the BCC structure at high…
We study the dynamics in the neighborhood of simple and double unstable periodic orbits in a rotating 3D autonomous Hamiltonian system of galactic type. In order to visualize the four dimensional spaces of section we use the method of color…
In this paper we study metastable states in single- and two-component dipolar Bose-Einstein condensates. We show that this system supports a rich spectrum of symmetries that are remarkably stable despite not being ground states. In a…
Correlated electron systems that host multiple electronic orders offer routes to multifunctional quantum materials, but strong competition between these orders often prevents their coexistence. Here we show that nanoscale, metastable…
The 2D layered Ruddlesden-Popper crystal structure can host a broad range of functionally important behaviors. Here we establish extraordinary configurational disorder in a two dimensional layered Ruddlesden-Popper (RP) structure using…
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…
We report the crystal structures and superconductivity (SC) of LaPt$_{x}$Si$_{2-x}$ ($0.5 \leq x \leq 1.0$) that are solid solutions of LaSi$_{2}$ and LaPtSi with centrosymmetric tetragonal ($I4_{1}/amd$, $D_{4h}^{19}$, \#141) and…
We investigate the phase behavior of a single-component system in 3 dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an…
The discovery of graphene makes it highly desirable to seek new two-dimensional materials. Through first-principles investigation, we predict two-dimensional materials of ReN$_{2}$: honeycomb and tetragonal structures. The phonon spectra…