Related papers: Study of volume and surface plasmons in small sili…

We investigate the two-plasmon spontaneous decay of a quantum emitter near single-walled carbon nanotubes (SWCNT) and graphene-coated wires (GCWs). We demonstrate efficient, enhanced generation of two-plasmon entangled states in SWCNTs due…

The molecular dynamics method, based on an empirical potential energy surface, was used to study the effect of catalyst particle size on the growth mechanism and structure of single-walled carbon nanotubes (SWNTs). The temperature for…

The physical and chemical properties of metal nanoparticles differ significantly from those of free metal atoms as well as from the properties of bulk metals, and therefore, they may be viewed as a transition regime between the two physical…

Three different clusters, Si_9H_12, Si_15H_16, and Si_21H_20, are used in density-functional theory calculations in conjunction with ab initio pseudopotentials to study how the energetics of H_2 dissociativ e adsorption on and associative…

We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response…

The identification of plasmons in systems below $ \sim $10 nm in size is a tremendous challenge. Any sharp distinction of the excitation character (non-plasmonic vs plasmonic) becomes blurred in this range of sizes, where quantum effects…

We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around…

The challenging question on possible plasmon type excitations in finite ionic systems is discussed. The related theoretical model is formulated and developed in order to describe surface and volume plasmons of ion liquid in finite…

The Coulomb excitations of charge density oscillation are calculated for a double-layer heterostructure. Specifically, we consider two-dimensional (2D) layers of silicene and graphene on a substrate. From the obtained surface response…

We investigate theoretically and numerically the coupling between elastic and localized surface plasmon modes in a system of gold nanocylinders separated from a thin gold film by a dielectric spacer of few nanometers thickness. That system…

We have investigated the formation of laser-induced periodic surface structures (LIPSS or ripples) on silicon upon excitation with p-polarized excimer laser pulses in the deep ultraviolet region (wavelength = 193 nm, pulse duration = 20…

We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…

We present an electron energy loss study using energy filtered TEM of spatially resolved surface plasmon excitations on a silver nanorod of aspect ratio 14.2 resting on a 30 nm thick silicon nitride membrane. Our results show that the…

The SILCC project (SImulating the Life-Cycle of molecular Clouds) aims at a more self-consistent understanding of the interstellar medium (ISM) on small scales and its link to galaxy evolution. We simulate the evolution of the multi-phase…

Inspired by Grimme's simplified Tamm-Dancoff density functional theory approach [S. Grimme, J. Chem. Phys. \textbf{138}, 244104 (2013)], we describe a simplified approach to excited state calculations within the GW approximation to the…

The complexation of plasmonic nanoparticles (NPs) and thermoresponsive microgels is widely exploited for applications, but a microscopic description of the mechanisms governing the spatial organization of the NPs is still lacking. Combining…

Plasmonic nanostructures, which are used to generate surface plasmon polaritions (SPPs), always involve sharp corners where the charges can accumulate. This can result in strong localized electromagnetic fields at the metallic corners,…

Using a real-space high order finite-difference approach, we investigate the electronic structure of large spherical silicon nanoclusters. Within Kohn-Sham density functional theory and using pseudopotentials, we report the self-consistent…

The combination of nanodiamonds with plasmonic metal particles is being explored for synergic effects that can enhance biosensing and antibacterial treatments, energy harvesting, photocatalysis, and quantum centres. Here we systematically…

In this work, Pt-Ti core-shell nanoparticles (NP) of 2 nm to 3 nm in size and 30000 u \pm 1500 u as specified single particle mass, deposited on flat silicon substrates by means of a mass-selected cluster beam source, were used for the…