Related papers: Simulating electron energy-loss spectroscopy and c…
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $\eta$ at each…
The dynamic structure factor (DSF) is a central quantity for interpreting a vast array of inelastic scattering experiments in chemistry and materials science, but its accurate simulation is a considerable challenge for classical…
We study strongly confined plasmons in ultrathin gold and silver films by simulating electron energy-loss spectroscopy (EELS). Plasmon dispersion relations are directly retrieved from the energy- and momentum-resolved loss probability under…
Electron energy loss spectroscopy (EELS) has been established as a powerful analytical technique for investigating the oxidation state, band structure, and dielectric properties of materials with exceptional spatial resolution. Inspired by…
Low-loss electron energy loss spectroscopy (EELS) has emerged as a technique of choice for exploring the localization of plasmonic phenomena at the nanometer level, necessitating analysis of physical behaviors from 3D spectral data sets.…
Electron energy-loss spectroscopy (EELS) offers a window to view nanoscale properties and processes. When performed in a scanning transmission electron microscope, EELS can simultaneously render images of nanoscale objects with…
Biomedical applications of plasmonic nanoparticle conjugates need control over their optical properties modulated by surface coating with stabilizing or targeting molecules often attached to or embedded in the secondary functionalization…
We identify a solid-state quantum emitter whose room-temperature radiative decay is mediated by a nearly equal mixture of isotropic electric dipole (ED) and magnetic dipole (MD) transitions. Using energy-momentum spectroscopy, we…
We have developed a nonlinear differential effective dipole approximation (NDEDA), in an attempt to investigate the effective linear and third-order nonlinear susceptibility of composite media in which graded spherical inclusions with weak…
In this work we present a theoretical study of EELS (electron-energy-loss spectroscopy) experiments on the ${\rm C}_{60}$ molecule. Our treatment of the problem is based on the simple two-fluid model originally proposed for the description…
Energy decomposition analysis (EDA) based on absolutely localized molecular orbitals provides detailed insights into intermolecular bonding by decomposing the total molecular binding energy into physically meaningful components. Here, we…
In situ scanning transmission electron microscopy (STEM) through liquids is a promising approach for exploring biological and materials processes. However, options for in situ chemical identification are limited: X-ray analysis is precluded…
A novel numerical method called the Thermal Discrete Dipole Approximation (T-DDA) is proposed for modeling near-field radiative heat transfer in three-dimensional arbitrary geometries. The T-DDA is conceptually similar to the Discrete…
Electron energy loss spectroscopy (EELS) has emerged as a powerful tool for the investigation of plasmonic nanoparticles, but the interpretation of EELS results in in terms of optical quantities, such as the photonic local density of…
We theoretically investigate electron energy loss spectroscopy (EELS) of metallic nanoparticles in the optical frequency domain. Using a quasistatic approximation scheme together with a plasmon eigenmode expansion, we show that EELS can be…
The observation of electric dipole moments (EDMs) in atomic systems due to parity and time-reversal violating (P,T-odd) interactions can probe new physics beyond the standard model and also provide insights into the matter-antimatter…
We present the development of a digital twin-based reconstruction framework for dielectric laser acceleration (DLA) based on machine-learning-assisted inversion of single-shot electron energy spectra. DLA as a promising candidate for…
Permanent electric dipole moments (EDMs) of fundamental particles such as the electron are signatures of parity and time-reversal violation due to physics beyond the standard model. EDM measurements probe new physics at energy scales well…
The equilibrium-diffusion approximation (EDA) is used to describe certain radiation-hydrodynamic (RH) environments. When this is done the RH equations reduce to a simplified set of equations. The EDA can be derived by asymptotically…
We propose a semi-classical approach based on the Vlasov equation to describe the time-dependent electronic dynamics in a bulk simple metal under an ultrashort intense laser pulse. We include in the effective potential not only the ionic…