Related papers: Evaluating aliphatic CF, CF2 and CF3 groups as vib…
We determine the nature of coupled phonons and magnetic excitations in AlFeO3 using inelastic light scattering from 5 K to 315 K covering a spectral range from 100-2200 cm-1 and complementary first-principles density functional theory-based…
We formulate frequency fluctuations of intramolecular vibrations of a solute by exploring the fluctuation of the electrostatic potential by solvents. We present a numerical methodology for estimating the frequency fluctuations; the…
Ferroelectric field-effect transistors (FE-FETs) consisting of tunable dielectric layers are utilized to investigate interfacial transport processes. Large changes in the dielectric constant as a function of temperature are observed in…
The thermodynamic description of the (LiF, NaF, KF, CrF2)-CrF3 systems has been revisited, aiming for a better understanding of the effects of Cr on the FLiNaK molten salt. First-principles calculations based on density functional theory…
The electronic structures, lattice dynamics, and magnetic properties of crystal {\beta}-FeSe under hydrostatic pressure have been studied by using the first-principles electronic structure calculations with van der Waals (vdW) corrections.…
Accurate quartic anharmonic force fields for CF$_4$ and SiF$_4$ have been calculated using the CCSD(T) method and basis sets of $spdf$ quality. Based on the {\it ab initio} force field with a minor empirical adjustment, the vibrational…
We propose a Fokker-Planck equation (FPE) theory to describe stochastic fluctuation and relaxation processes of lattice vibration at a wide range of conditions, including those beyond the phonon gas (PG) limit. Using the time-dependent,…
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$_\textrm{3}$…
We have developed a Fock-space relativistic coupled-cluster theory based method for the calculation of electric dipole polarizability of one-valence atoms and ions. We employ this method to compute the ground-state and spin-orbit coupled…
We demonstrate that in highly magnetized pair plasmas, nonlinear Alfven waves with wave-number $k \leq k_0 = \omega_p^2 /(\delta \omega_B)$ ($\delta =( \delta B)/B_0$ are relative fluctuations of the magnetic field) experience powerful…
The relaxation time of several second generation molecular motors is analysed by calculating the minimum energy path between the metastable and stable states and evaluating the transition rate within harmonic transition state theory based…
Ferroelectric nematic (NF) liquid crystals combine liquid-like fluidity and orientational order of conventional nematics with macroscopic electric polarization comparable in magnitude to solid state ferroelectric materials. Here, we present…
We reported the quasiparticle relaxation dynamics of an optimally doped triclinic iron-based superconductor (Ca$_{0.85}$La$_{0.15}$)$_{10}$(Pt$_3$As$_8$)(Fe$_2$As$_2$)$_5$ with bulk $T_c$ = 30 K using polarized ultrafast optical pump-probe…
The interactions among lattice, charge, and spin degrees of freedom fundamentally shape material properties. In FeSe, symmetry-breaking perturbations serve as highly sensitive probes of these couplings. Previous work has shown that defects…
Turbulent magnetic field fluctuations observed in the solar wind often maintain a constant magnitude condition accompanied by spherically polarized velocity fluctuations; these signatures are characteristic of large-amplitude Alfv\'{e}n…
Synchrotron x-ray scattering studies of anti-ferroelectric nanoregions (AFR) as fluctuations, which give rise to 1/2(hk0) superlattice reflections (alpha spots), were systematically performed in Pb(Mg1/3Nb2/3)O3 (PMN) ferroelectric relaxor.…
Lattice constants and bulk moduli of eleven cubic III-V semiconductors are calculated using an ab initio scheme. Correlation contributions of the valence electrons, in particular, are determined using increments for localized bonds and for…
In Fe-As based superconductors magnetism and superconductivity show strong sensitivity to the lattice, suggesting a possibility of unconventional electron-phonon coupling. We investigated c-axis polarized phonons in doped and undoped…
The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular…
We investigate spin dynamics in $\alpha$-Fe$_{2}$O$_{3}$/Ni$_{80}$Fe$_{20}$ (Py) heterostructures, uncovering a robust mechanism for in-situ modulation of ferromagnetic resonance (FMR) through precise control of temperature, applied…