Related papers: Vibrational Study of 13C-enriched C60 Crystals
Understanding the vibrational and thermal properties of amorphous solids is one of the most discussed and long-standing issues in condensed matter physics. Recent works have made significant steps towards understanding harmonic vibrational…
A mixed II-VI semiconductor Zn[1-x]Be[x]Se possesses non-trivial vibration properties, because its two constituent compounds, ZnSe and BeSe, show very different degree of covalency and hence high elastic contrast. An anomalous Be-Se…
We present a novel approach to calculate molecular IR spectra based on semiclassical molecular dynamics. The main advance from a previous semiclassical method [M. Micciarelli, R. Conte, J. Suarez, M. Ceotto J. Chem. Phys. 149, 064115…
We present a mechanism able to show intrinsic bistable behaviour involving single Yb3+ ions embedded into bromide lattices, in which intrinsic optical bistability (IOB) has been observed. The mechanism is based on the experimentally found…
Based on the ab initio electronic structure calculations the picture of ferromagnetism in polimerized C60 is proposed which seems to explain the whole set of controversial experimental data. We have demonstrated that, in contrast with cubic…
We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonotonic features in the optical conductivity spectrum and small…
Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule…
Precision measurements based on optically detected nuclear magnetic resonance offer exquisite sensitivity to absolute shifts in spin transition frequencies, with potential applications in fundamental physics experiments and inertial…
Induced gravitational waves provide a powerful probe of primordial perturbations in the early universe through their distinctive spectral properties. We analyze the spectral energy density $\Omega_{\text{GW}}$ of gravitational waves induced…
CsPb2Br5 is a stable, water-resistant, material derived from CsPbBr3 perovskite and featuring two-dimensional Pb-Br framework separated by Cs layers. Both compounds can coexist at nano- length scale, which often produces conflicting optical…
A broad effort is underway to improve the sensitivity of nuclear magnetic resonance through the use of dynamic nuclear polarization. Nitrogen-vacancy (NV) centers in diamond offer an appealing platform because these paramagnetic defects can…
We present a one dimensional model for the nonlinear response of a colloidal crystal to intense light illumination along a high symmetry direction. The strong coupling between light and the colloidal lattice, via the electric gradient force…
All carbon materials, e.g., amorphous carbon (a-C) coatings and C60 fullerene thin films, play an important role in short-wavelength free-electron laser (FEL) research motivated by FEL optics development and prospective nanotechnology…
Background : Recently, Bijker et al. [Phys. Rev. Lett. 122, 162501 (2019)] explained the rotation-vibration spectrum of 13C by assuming triangular nuclear shape with D'3h symmetry. Purpose : The purpose of this work is to test the shape and…
Despite more and more observational data, stellar acoustic oscillation modes are not well understood as soon as rotation cannot be treated perturbatively. In a way similar to semiclassical theory in quantum physics, we use acoustic ray…
We present a study of the isotropic-nematic interface in a system of hard spherocylinders. First we compare results from Monte Carlo simulations and Onsager density functional theory for the interfacial profiles of the orientational order…
The rotational spectra of singly substituted $^{13}$C and $^{15}$N isotopic species of vinyl cyanide have been studied in natural abundances between 64 and 351 GHz. In combination with previous results, greatly improved spectroscopic…
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…
We show that C$_{60}$ fullerene molecules can serve as promising building blocks in the construction of versatile crystal structures with unique symmetries using first-principles calculations. These phases include quasi-2D layered…
Hydrogen is one of the few molecules which has been incarcerated in the molecular cage of C$_{60}$ and forms endohedral supramolecular complex H$_2$@C$_{60}$. In this confinement hydrogen acquires new properties. Its translational motion…