Related papers: Chirality in Bare and Passivated Gold Nanoclusters
Chiral active matter is a variant of active matter systems in which the motion of the constituent particles violates mirror symmetry. In this letter, we simulate two-dimensional chiral Active Brownian Particles, the simplest chiral model in…
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The computed electronic structures of various nano-clusters reveal…
We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters.…
Global minimum potential energy state can be very challenging to locate in a relatively large atomistic system. Our present work investigates this problem using an example of gold nanoclusters, Au10, Au20, Au30, Au50. Nanoscale gold…
Structured light enables the characterization of chirality of optically small nanoparticles by taking advantage of the helicity maximization concept recently introduced in[1]. By referring to fields with nonzero helicity density as chiral…
Geometry, electronic structure, and magnetic properties of methylthiolate-stabilized Au$_{25}$L$_{18}$ and MnAu$_{24}$L$_{18}$ (L = SCH$_3$) clusters adsorbed on noble-metal (111) surfaces have been investigated by using spin-polarized…
Carbon nanotubes have properties depending on the arrangement of carbon atoms on the tube walls, called chirality. Also it has been tried to grow nanotubes of only one chirality for more than a decade it is still not possible today. A…
Electromagnetic waves impinging on three-dimensional helical metallic metamaterials have been shown to exhibit chiral effects of large magnitude both theoretically and in experimental realizations. Chirality here describes different…
We have investigated the lowest-energy structures and electronic properties of the Au$_n$(n=2-20) clusters based on density functional theory (DFT) with local density approximation. The small Au$_n$ clusters adopt planar structures up to…
Gold clusters Aun of size n = 2 to 12 atoms were studied by the density-functional theory with an ab-initio pseudopotential and a generalized gradient approximation. Geometry optimizations starting from a number of initial candidate…
Algorithmic progress in recent years made it possible to simulate QCD with Nf=2 flavours of O(a)-improved Wilson fermions at very light quark masses. We present the current results for baryon spectrum states, the nucleon axial coupling and…
Chirality is an intriguing property of certain molecules, materials or artificial nanostructures, which allows them to interact with the spin angular momentum of the impinging light field. Due to their chiral geometry, they can distinguish…
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,…
Ab initio calculations using the Perturbed Ion model, with correlation contributions included, are presented for nonstoichiometric (NaI)_nNa+ and (CsI)_nCs+ (n=1-14) cluster ions. The ground state and several low-lying isomers are…
We study samples and a dipolar model of magnetic rods arranged on twisted polygonal clusters in terms of the twist angle. We find that the relative twist between polygons induces noncollinear chiral phases, ranging from flux vortex closure…
A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previous pair potential results, and observed differences between…
The delicate balance between H-bonding and van der Waals interactions determine the stability,structure and chirality of many molecular and supramolecular aggregates weakly adsorbed on solid surfaces.Yet the inherent complexity of these…
Large optical chirality in the vicinity of achiral high index dielectric nanostructures has been recently demonstrated as useful means of enhancing molecular circular dichroism. We theoretically study the spatial dependence of optical…
We determined the NLO chiral low-energy constant $L_{10}$, and various combinations of NNLO chiral low-energy constants employing recently revised ALEPH results for the non-strange vector (V) and axial-vector (A) hadronic tau decay…
Optical activity is a fundamental phenomenon originating from the chiral nature of crystals and molecules. While intrinsic chiroptical responses of ordinary chiral materials to circularly polarized light are relatively weak, they can be…