Related papers: Raman Tensor Calculation for Magnesium Phthalocyan…
In a recent report sum-frequency excitation of a Raman-active phonon was experimentally demonstrated for the first time. This mechanism is the sibling of impulsive stimulated Raman scattering, in which difference-frequency components of a…
Density Functional Resonance Theory (DFRT) is a complex-scaled version of ground-state Density Functional Theory (DFT) that allows one to calculate the resonance energies and lifetimes of metastable anions. In this formalism, the exact…
Hadronic spectral densities play a pivotal role in particle physics, a prime example being the R-ratio defined from electron-positron scattering into hadrons. To predict them from first principles using Lattice QCD, we face a numerically…
In this paper we present a detailed analysis of the Faraday depth (FD) spectrum and its clean components obtained through the application of the commonly used technique of Faraday rotation measure synthesis to analyze spectro-polarimetric…
Resonantly enhanced Raman scattering in dielectric nanostructures has been recently proven to be an effcient tool for developing nanothermometry and experimental determination of their mode- composition. In this paper, we develop a rigorous…
Computational high-throughput virtual screening is essential for identifying redox-active molecules for sustainable applications such as electrochemical carbon capture. A primary challenge in this approach is the high computational cost…
We calculate the total electronic Raman scattering spectrum for a system with a charge density wave on an infinite-dimensional hypercubic lattice. The problem is solved exactly for the spinless Falicov-Kimball model with dynamical…
We present a systematic theoretical study of the five smallest oligoacenes (naphthalene, anthracene, tetracene, pentacene, and hexacene) in their anionic,neutral, cationic, and dicationic charge states. We used density functional theory…
Phonon-polaritons (PP) are phonon-photon coupled modes. Using near-forward Raman scattering, the PP of the cubic Zn(1-x)MgxTe (x<0.09) semiconductor alloy could be measured. While the PP-coupling hardly develops in pure ZnTe, minor…
Radiation from a charged particle travelling parallel to a rough surface has been considered. Spectral-angular intensity is calculated in the weak scattering regime. It is shown that the main contribution to the radiation intensity is…
Understanding the coupling between lattice vibrations and magnetic order is crucial for controlling properties of two-dimensional magnetic materials. Here, we investigate the vibrational properties of bulk and thick-flake CrCl$_\textrm{3}$…
The evidence for benzonitrile (C$_6$H$_5$CN}) in the starless cloud core TMC-1 makes high-resolution studies of other aromatic nitriles and their ring-chain derivatives especially timely. One such species is phenylpropiolonitrile…
We present first-principles calculations of the vibrational properties of the transition metal dichalcogenide 1T-TaS$_2$ for various thicknesses in the high-temperature (undistorted) phase and the low-temperature commensurate charge density…
A neutrino mass matrix is considered under conditions of a CP invariance and a small reactor mixing $\theta_{13}$ angle. Absolute mass values for three neutrinos are evaluated for normal and inverted hierarchy spectra on the ground of data…
We calculate the spectrum and wave functions (WFs) of various states of bottomonium mesons ($b\overline{b}$) using a non-relativistic quark potential model (NRQPM). The calculated WFs are used to compute the radiative widths of various…
In this work, we have calculated the vibrational modes and frequencies of the crystalline PPP (in both the Pbam and Pnnm symmetries) and PPV (in the P21/c symmetry). Our results are in good agreement with the available experimental data.…
The adsorption of iron phthalocyanine (FePc) on the passivated H/Si(111) surface is explored from first principles. We find that the organic molecule is predominantly physisorbed with a distance to the surface of $2.6 \pm 0.1$ Angstrom, but…
Investigation of P,T-parity nonconservation (PNC) phenomena is of fundamental importance for physics. Experiments to search for PNC effects have been performed on TlF and YbF molecules and are in progress for PbO and PbF molecules. For…
We propose differential phase contrast (DPC) imaging using energy-filtered electrons to image the magnetic properties of materials at the atomic scale. Compared to DPC measurements with elastic electrons, our simulations predict about two…
We report on the lattice and spin dynamics in the monopnictide CrAs using polarized Raman scattering. This system exhibits a first-order magneto-structural phase transition at T_N~ 265 K, below which the magnetic moments of Cr form an…