相关论文: Cubic boron nitride: an experimental and theoretic…
The electronic structures of ABO3 ferroelectrics are calculated within the density functional theory, and their evolution is analyzed as the crystal-field symmetry changes from cubic to rhombohedral via tetragonal phases. Electronic…
In the quest for dynamic multimodal probing of a material's structure and functionality, it is critical to be able to quantify the chemical state on the atomic and nanoscale using element specific electronic and structurally sensitive tools…
The semi-exclusive averaged reduced cross sections for (anti)neutrino charged current quasi-elastic scattering on carbon, oxygen, and argon are analyzed within the relativistic distorted wave impulse approximation. We found that these cross…
A quantum-mechanical model to calculate the electron energy-loss spectra (EELS) for the system of a closely located metallic nanoshell and a molecule has been developed. At the resonance between the molecular excitation and plasmon modes in…
The real and imaginary parts of the complex refractive index of SixNyHz have been calculated using density functional perturbation theory. Optical spectra for reflectivity, adsorption coefficient, energy-loss function (ELF), and refractive…
The electron structure functions are studied in polarized $e^+e^-$ scattering. The formulae for longitudinally and transversely polarized electrons are presented. The smallnes of the electron mass leads to negligible cross-sections and…
The response of fullerenes and carbon nanotubes is investigated by representing each carbon atom by its atomic polarizability. The polarization of each carbon atom produces an induced dipole that is the result of the interaction with a…
Theoretical predictions for elastic neutrino-electron scattering have no hadronic or nuclear uncertainties at leading order making this process an important tool for normalizing neutrino flux. However, the process is subject to large…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
The one-centre Coulomb-Sturmian convergent close-coupling method is applied to proton collisions with the boron atom and singly charged carbon ion. Here we report an update to our target-structure implementation, in which configuration…
Last year the COHERENT collaboration was able to measure for the first time the Coherent Elastic Neutrino Nucleus Scattering (CE$\nu$NS). Neutrinos within the right energy range can be produced in large quantities at accelerator facilities…
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of states (EOS) for a set of reported and hypothetical structures.…
Semi-inclusive deep inelastic scattering on nuclear targets is an ideal tool to study the energy loss effect of an outgoing quark in a nuclear medium. By means of the short hadron formation time, the experimental data with quark…
The inelastic scattering of electrons is one route to study the vibrational and electronic properties of materials. Such experiments, also called electron energy-loss spectroscopy, are particularly useful for the investigation of the…
Electromagnetic structure functions for electron-proton scattering are used as a test of the QCD improved parton model at low and moderate Q. Two parameterizations which work well in ep scattering at low Q are used to evaluate the inelastic…
We present a joint theoretical and experimental study of the oxygen $K$-edge spectra for LaFeO$_3$ and homovalent Ni-substituted LaFeO$_3$ (LaFe$_{0.75}$Ni$_{0.25}$O$_3$), using first-principles simulations based on density-functional…
The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of…
We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first principles lattice dynamics using periodic…
The elemental composition and electronic structure of materials analyzed by electron energy loss spectroscopy (EELS) are probed by the inner-shell ionization of atoms. This is a localized process that can be approximated by the scattering…
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…