Related papers: Vibrational Study of 13C-enriched C60 Crystals
A semi-empirical model of the infrared (IR) spectrum of the C$_{60}$ molecule is proposed. The weak IR-active modes seen experimentally in a C$_{60}$ crystalline sample are argued to be combination modes caused by anharmonicity. The origin…
We report the measurement of infrared transmission of large C60 single crystals. The spectra exhibit a very rich structure with over 180 vibrational absorptions visible in the 100 - 4000 cm-1 range. Many silent modes are observed to have…
The C60 molecule has been recently detected in a wide range of astrophysical environments through its four active intramolecular vibrational modes (T1u) near 18.9, 17.4, 8.5, and 7.0 microns. The strengths of the mid-infrared emission bands…
The transition strengths for the four infrared-active vibrations of charged C$_{60}$ molecules are evaluated in self-consistent density functional theory using the local density approximation. The oscillator strengths for the second and…
We have observed that C$_{60}^+$ ions isolated in cryogenic matrixes show pronounced near-IR photoluminescence upon excitation in the near-IR range. By contrast UV photoexcitation does not lead to measurable luminescence. After the recent…
Metallic K3C60 shows pronounced structure and a sharp Fermi edge in integrated photoemission spectra (PES) while the insulating K4C60 and K6C60 phases display only a broad structureless peak. We find that both types of spectra can be…
The quantum physics of ions and electrons behind low-energy spectra of strongly correlated {\it molecular} conductors, superconductors and Mott insulators is poorly known, yet fascinating especially in orbitally degenerate cases. The…
The paper presents our opinion on the investigations and results of various kind of vibrational spectra of crystal violet (CV). After our analysis of the published spectra we came to conclusion, that the assignment of vibrations in this…
Band theory predicts both K3C60 and K4C60 to be metals; various experimental probes show that while K3C60 is indeed metallic, K4C60 appears to be insulating. The standard view of this apparent failure of the single-particle picture is that…
The unconventional thermal properties of jammed amorphous solids are directly related to their density of vibrational states. While the vibrational spectrum of jammed soft sphere solids has been fully described, the vibrational spectrum of…
We investigate nuclear spin hyperpolarization from nitrogen vacancy centers in isotopically enriched diamonds with $^{13}$C concentrations up to 100%. $^{13}$C enrichment leads to hyperfine structure of the nitrogen vacancy electron spin…
The infrared- and Raman-active vibrational modes of C60 were measured in the various structural states of Rb1C60. According to earlier studies, Rb1C60 has an $fcc$ structure at temperatures above ~100C, a linear chain polymer orthorhombic…
The purpose of this work is to calculate the vibrational modes of an elastically anisotropic sphere embedded in an isotropic matrix. This has important application to understanding the spectra of low-frequency Raman scattering from…
We present an experimental and theoretical study of the optically detected magnetic resonance signals for ensembles of negatively charged nitrogen-vacancy (NV) centers in 13C isotopically enriched single-crystal diamond. We observe four…
C60-C8H8 and C70-C8H8 are prototypes of rotor-stator cocrystals. We present infrared and Raman spectra of these materials and show how the rotor-stator nature is reflected in their vibrational properties. We measured the vibrational spectra…
We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…
The vibrations of a coupled pair of isotropic silver spheres are investigated and compared with the vibrations of the single isolated spheres. Situations of both strong coupling and also weak coupling are investigated using continuum…
The discovery of the C60 fullerene opened new horizons to design carbon nanostructures with targeted electronic structure as well as transport and optical properties. For example, endohedral 12C60 molecules were proposed as candidates for…
We report the complex dielectric function along and perpendicular to the IrO2 planes in the layered perovskite Sr2IrO4 determined by spectroscopic ellipsometry in the spectral range from 12 meV to 6 eV. Thin high quality single crystals…
In this paper we present calculations of single-particle excitation spectra of neutral and three-electron-doped Hubbard C$_{60}$ molecules and monolayers from large-scale quantum Monte Carlo simulations and cluster perturbation theory. By a…