相关论文: Vibrational Study of 13C-enriched C60 Crystals

We report the results of a high-resolution synchrotron X-ray powder diffraction study of polymerised CsC$_{60}$ in the temperature range 4 to 40 K. Its crystal structure is monoclinic (space group I2/m), isostructural with RbC$_{60}$. Below…

The C_{60} molecule exhibits a remarkable stability and inertness that leads to its survival in ancient carbonaceous rocks initially subject to the high temperatures requisite for its formation. Elementary particles having very high…

The sensitivity of Magnetic Resonance Imaging (MRI) depends strongly on nuclear spin polarisation and, motivated by this observation, dynamical nuclear spin polarisation has recently been applied to enhance MRI protocols (Kurhanewicz, J.,…

We have measured the four IR active $C_{60}$ molecular vibrations in $M_{x}C_{60}$ $(M = K, Rb)$ as a function of doping $x$. We observe discontinuous changes in the vibrational spectra showing four distinct phases (presumably $x = 0, 3,…

The presence of neutral C60 fullerenes in circumstellar environments has been firmly established by astronomical observations as well as laboratory experiments and quantum-chemistry calculations. However, the large variations observed in…

We propose a `phase diagram' for particulate systems that interact via purely repulsive contact forces, such as granular media and colloidal suspensions. We identify and characterize two distinct classes of behavior as a function of the…

We present a theoretical analysis of the electron spin decoherence in single Nitrogen-Vacancy defects in ultra-pure diamond. The electron spin decoherence is due to the interactions with Carbon-13 nuclear spins in the diamond lattice. Our…

Vibrational mode frequencies and damping are calculated for an elastic sphere embedded in an infinite, homogeneous, isotropic elastic medium. Anisotropic elasticity of the sphere significantly shifts the frequencies in comparison to…

We use first-principles calculations based on density functional theory to determine and understand the driving force of the observed stacking fault expansion in SiC. We verify the suggestion based on recent experiments that the free energy…

We report new inelastic Raman and neutron scattering spectra for glasses with different degrees of fragility; the data are compared for each sample to obtain the Raman coupling function $C(\omega)$. The study indicates a general linear…

Magnetism of fullerene C60 was studied by three methods of the density functional theory (DFT) calculation, laboratory experiment and astronomical observation. DFT revealed that the most stable spin state was non-magnetic one of Sz=0/2.…

Grating spectra exhibit sharp variations of the scattered light, known as grating anomalies. The latter are due to resonances that have fascinated specialists of optics and physics for decades and are nowadays used in many applications. We…

Possible modes of asymptotic behavior of the amplitudes of hadron scattering in QCD are discussed. It is shown that the condition of triviality of the scattering matrix when the interaction of the fundamental fields is turned off leads to…

The vibrational spectrum of C$_{60}$ is compared to the spectrum of a classical isotropic elastic spherical shell. We show correlations between the low frequency modes of C$_{60}$ and those of the spherical shell. We find the spherical…

Isotopic substitution of boron and carbon is applied for the identification of the vibrational modes of heavily boron-doped diamond synthesized by high-pressure high-temperature technique. None of the bands in the Raman spectra are shifting…

Conventionally, the Ih symmetry of fullerene C60 is accepted which is supported by numerous calculations. However, this conclusion results from the consideration of the molecule electron system, of its odd electrons in particular, in a…

Using a density-functional based algorithm, the full IR and Raman spectra are calculated for the neutral Ti_8C_12 cluster assuming geometries of Th, Td, D2d and C3v symmetry. The Th pentagonal dodecahedron is found to be dynamically…

Silicon-vacancy (SiV) center in diamond is a photoluminescence (PL) center with a characteristic zero-phonon line energy at 1.681 eV that acts as a solid-state single photon source and, potentially, as a quantum bit. The majority of the…

Optical absorption spectra of C60^6- are theoretically investigated in order to analyze the optical properties of alkali metal doped fullerites A6C60. We use a tight binding model with long ranged Coulomb interactions and bond disorder.…

A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…