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We investigate the properties of Lindblad equations on $d$-dimensional lattices supporting a unique steady-state configuration. We consider the case of a time evolution weakly symmetric under the action of a finite group $G$, which is also…
The structure of thiolate-protected gold cluster Au38(SR)24 has not been determined experimentally and the best available signature is its measured optical spectrum. Using this signature and energetic stability as criteria and SCH3 for SR,…
Macrochains of topologically interlocked rings with unique physical properties have recently gained considerable interest in supramolecular chemistry, biology, and soft matter. Most of the work has been, so far, focused on linear chains and…
Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and inertial fusion energy reactors are its high melting point,…
The local electronic structure of the SrO-terminated SrTiO3(001) surface was explored using scanning tunneling microscopy. At low bias voltages in the empty states, a unidirectional structure with a periodicity of 3 unit cells, superimposed…
A new tetrahedral structure model was developed and the geometrical structure of jammed disordered packings of monodisperse spheres with different friction coefficients was systematically characterized. An intrinsic structure feature is…
Periodic tilings can store information if individual tiles are decorated to lower their symmetry. Truchet tilings - the broad family of space-filling arrangements of such tiles - offer an efficient mechanism of visual data storage related…
Understanding the spatial arrangements of atom-centered coordination octahedra is crucial for relating structures to properties for many materials families. Traditional case-by-case inspection becomes a prohibitive task for discovering…
Dense packings of nonoverlapping bodies in three-dimensional Euclidean space are useful models of the structure of a variety of many-particle systems that arise in the physical and biological sciences. Here we investigate the packing…
In this article, we present our results on bilayers assembled upon strategic placement of Cd$_6$Se$_6$ clusters. These bilayers are studied for their stability and electronic structure with the help of density functional theory and are…
We investigated the electronic structure of monolayer VTe2 grown on bilayer graphene by angle-resolved photoemission spectroscopy (ARPES). We found that monolayer VTe2 takes the octahedral 1T structure in contrast to the monoclinic one in…
We identify the maximally dense lattice packings of tangent-disk trimers with fixed bond angles ($\theta = \theta_0$) and contrast them to both their nonmaximally-dense-but-strictly-jammed lattice packings as well as the disordered jammed…
We have investigated the stability limits of small spin-polarized clusters consisting of up to ten spin-polarized tritium T$\downarrow$ atoms and the mixtures of T$\downarrow$ with spin-polarized deuterium D$\downarrow$ and hydrogen…
Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…
The results of electronic structure calculations for the one-dimensional magnetic chain compound Ca3Co2O6 are presented. The calculations are based on density functional theory and the local density approximation and used the augmented…
Monodisperse suspensions of rodlike chiral $fd$ viruses are condensed into a rod-length thick colloidal monolayers of aligned rods by depletion forces. Twist deformations of the molecules are expelled to the monolayer edge as in a chiral…
Motivated by contradicting reports in the literature, we have investigated the structural stability of tungsten nanoparticles using density functional theory calculations. The comparison of BCC, FCC, A15, disordered, and icosahedral…
Oxygen is in many ways a unique element: the only known diatomic molecular magnet and the capability of stabilization of the hitherto unexpected O8 cluster structure in its solid form at high pressure. Molecular dissociations upon…
A new polymorph of volborthite [tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate], Cu3V2O7(OH)2 2H2O, has been discovered in a single crystal prepared by hydrothermal synthesis. X-ray analysis reveals that the monoclinic…
We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, Transmission Electron Microscopy images revealed that the samples tend to…