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The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…
We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…
We report measurements of the phonon density of states as measured with inelastic x-ray scattering in SmFeAsO$_{1-x}$F$_y$ powders. An unexpected strong renormalization of phonon branches around 23 meV is observed as fluorine is substituted…
We investigate phase-dependent electronic and excitonic phenomena in monolayer Y2TeO2 MOenes in the 1T and 2H polymorphs using first-principles theory and an effective many-body framework. Phonon spectra and elastic stability criteria…
Thickness is one of the fundamental parameters that define the electronic, optical, and thermal properties of two-dimensional (2D) crystals. Phonons in molybdenum disulfide (MoS2) were recently found to exhibit unique thickness dependence…
The infrared (IR) active phonons in multiferroic TbMn$_2$O$_5$ are studied as a function of temperature. Most of the symmetry allowed IR modes polarized along the \textit{a} and \textit{b} crystal axes are observed and the behavior of…
The reflectivity of a large LuFe(2)O(4) single crystal has been measured with the radiation field either perpendicular or parallel to the c axis of its rhombohedral structure, from 10 to 500K, and from 7 to 16000 cm-1. The transition…
Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy X-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its…
Infrared reflection and transmission as a function of temperature have been measured on single crystals of Cu$_{3}$Bi(SeO$_{3}$)$_{2}$O$_{2}$Cl. The complex dielectric function and optical properties along all three principal axes of the…
In this sequel to our work on triply excited hollow resonances in three-electron atomic systems, a density functional theory (DFT)-based formalism is employed to investigate similar resonances in Li-isoelectronic series (Z=4--10). A…
Hybrid organic-inorganic semiconductors feature complex lattice dynamics due to the ionic character of the crystal and the softness arising from non-covalent bonds between molecular moieties and the inorganic network. Here we establish that…
The underlying dielectric properties of materials, intertwined with intriguing phenomena such as topological polariton modes and anisotropic thermal conductivities, stem from the anisotropy in atomic vibrations. Conventionally, X-ray…
Nonlinear phononics relies on the resonant optical excitation of infrared-active lattice vibrations to coherently induce targeted structural deformations in solids. This form of dynamical crystal-structure design has been applied to control…
Using density-functional theory with ultrasoft pseudopotentials, we previously investigated the structural and electronic properties of the low-pressure (cubic, tetragonal, and monoclinic) phases of ZrO2 and HfO2, in order to elucidate…
We report the measurements of the pseudodielectric function, far-infrared reflectivity and Raman scattering spectra in Sr_{14}Cu_{24}O_{41} single crystal. We study the lattice and the spin dynamics of the Cu$_2$O$_3$ spin ladders and…
With polarized and angle-resolved Raman spectroscopy studies on single two-dimensional layered perovskites (2DLP) flakes with different ammonium molecules as organic cations, in 2020 we revealed the very rich phonon spectra in the…
We investigate the hole and lattice dynamics in a prototypical high temperature superconducting system La{2-x}Sr{x}CuO{4} using infrared spectroscopy. By exploring the anisotropy in the electronic response of CuO2 planes we show that our…
We report inelastic x-ray scattering experiments on the lattice dynamics in SmFeAsO and superconducting SmFeAsO$_{0.6}$F$_{0.35}$ single crystals. Particular attention was paid to the dispersions along the [100] direction of three optical…
A momentum balance equation is developed to investigate the magnetotransport properties in monolayer molybdenum disulphide when a strong perpendicular magnetic field and a weak in-plane electric field are applied simultaneously. At low…
Al4SiC4 is a wide band gap semiconductor with numerous potential technological applications. We report here the first thorough experimental Raman and Infrared (IR) investigation of vibrational properties of Al4SiC4 single crystals grown by…