Related papers: Cubic boron nitride: an experimental and theoretic…
Although electron energy loss near edge structure analysis provides a tool for experimentally probing unoccupied density of states, a detailed comparison with simulations is necessary in order to understand the origin of individual peaks.…
Electron energy loss near edge spectra (ELNES) has been calculated for two different Fe based superconducting material FeSe and FeTe using density functional theory (DFT). Fe K-edge absorption spectra consist of several features, origins of…
We report a comprehensive study on the optical properties of cubic boron nitride (c-BN) and its optically active defects. Using electron energy-loss spectroscopy (EELS) within a monochromated scanning transmission electron microscope (STEM)…
Electron energy loss spectra have been measured on hexagonal boron nitride single crystals employing a novel electron energy loss spectroscopic set-up composed by an electron microscope equipped with a monochromator and an in-column filter.…
In this study, we employ a first-principles approach to conduct a comprehensive investigation of the properties of nine common native point defects in cubic boron nitride. This analysis combines standard semi-local and dielectric hybrid…
The energy-loss near-edge structure (ELNES) at the oxygen $K$ edge in two $AB_2O_4$ spinels (A=Mg, B=Al,Cr) is reported. In $MgAl_2O_4$ the experimental data is successfully modelled within the LDA framework. In the case of $MgCr_2O_4$…
We perform density functional theory calculations on a series of armchair and zigzag nanotubes of diameters less than 1nm using the all-electron Full-Potential(-Linearised)-Augmented-Plane-Wave (FPLAPW) method. Emphasis is laid on the…
In previous work a different and powerful, analytical, technique was used to get data, such as the absolute atom concentration (AAC), specimen thickness etc., from public domain boron nitride EELS spectrum collected under a collection…
This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point…
Electron energy-loss spectroscopy (EELS) performed in transmission electron microscopes is shown to directly render the photonic local density of states (LDOS) with unprecedented spatial resolution, currently below the nanometer. Two…
Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
A consistent theory of electron energy-loss spectroscopy (EELS) includes two indispensable elements: (i) electronic response of the target system and (ii) quantum kinematics of probing electrons. While for the bulk materials and their…
Imaging and spectroscopy performed in a low-voltage scanning transmission electron microscope (LV-STEM) are used to characterize the structure and chemical properties of boron-terminated tetravacancies in hexagonal boron nitride (h-BN). We…
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…
We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…
Swift electrons passing near or through metallic structures have proven to be an excellent tool for studying plasmons and other types of confined optical modes involving collective charge oscillations in the materials hybridized with…
The availability of the double-differential charged-current neutrino cross section, measured by the MiniBooNE collaboration using a carbon target, allows for a systematic comparison of nuclear effects in quasi-elastic electron and neutrino…
We present results for the optical absorption spectra of small-diameter single-wall carbon and boron nitride nanotubes obtained by {\it ab initio} calculations in the framework of time-dependent density functional theory. We compare the…
The thickness and interfacial geometry of hexagonal boron nitride (hBN) films grown by chemical vapor deposition on polycrystalline nickel foils is studied using low-energy electron microscopy (LEEM). The reflectivity of the electrons,…