相关论文: Vibrational Study of 13C-enriched C60 Crystals
The vibrational spectroscopy of semiconductor nanostructures can provide important information on their structure. In this work, experimental Raman and infrared spectra are compared with vibrational spectra of CdSe/CdS core/shell…
In this work, we present a computational scheme for isolating the vibrational spectrum of a defect in a solid. By quantifying the defect character of the atom-projected vibrational spectra, the contributing atoms are identified and the…
Infrared absorption spectroscopy study of endohedral water molecule in a solid mixture of H$_2$O@C$_{60}$ and C$_{60}$ was carried out at liquid helium temperature. From the evolution of the spectra during the ortho-para conversion process,…
The vibrational properties of three sodosilicate glasses have been investigated in the framework of Density Functional Theory. The pure vibrational density of states has been calculated for all systems and the different vibrational modes…
One of the most remarkable properties of the nitrogen-vacancy (NV) center in diamond is that optical illumination initializes its electronic spin almost completely, a feature that can be exploited to polarize other spin species in their…
This work explores how small molecules sound. Infrared (IR) spectra of HCl, H2O, NH3, and acetone are mapped into the audible range using a simple anharmonic oscillator model and NIST vibrational data. Comparing harmonic and anharmonic…
Small metal-containing molecules have been detected and recognized as one of the hybrid species efficiently formed in space; especially in the circumstellar envelopes of evolved stars. It has been predicted also that more complex hybrid…
Context. Insight into the conditions that drive the physics and chemistry in interstellar clouds is gained from determining the abundance and charge state of their components. Aims. We propose an evaluation of the C60:C60+ ratio in diffuse…
Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be de- rived from its bulk counterpart. It is found…
Here we propose and analyse in detail protocols that can achieve rapid hyperpolarization of 13C nuclear spins in randomly oriented ensembles of nanodiamonds at room temperature. Our protocols exploit a combination of optical polarization of…
New type of nonlinear (anharmonic) excitations -- bushes of vibrational modes -- in physical systems with point or space symmetry are discussed. All infrared active and Raman active bushes for C60 fulerene are found by means of special…
The elementary excitations of skyrmion crystals experience both emergent magnetic fields and anharmonic interactions brought about by the topologically nontrivial noncollinear texture. The resulting flat bands cause strong spontaneous…
The magnetic excitation spectrum of the unconventional ferromagnet CeRh$_{3}$B$_{2}$ was measured by inelastic neutron scattering on single crystal sample in the magnetically ordered and paramagnetic phases. The spin-wave excitation…
The lattice vibrations (phonon modes) of crystals underpin a large number of material properties. The harmonic phonon spectrum of a solid is the simplest description of its structural dynamics and can be straightforwardly derived from the…
A model study of the singlet excitons in the C60 molecule with emphasis on the Coulomb interaction between excited electron and hole leads to a physical understanding of the interaction effects on the absorption spectra and to a new…
A theoretical study proposes the atomic configuration of electron-beam irradiated C$_{60}$ thin films. We examined the electronic structure and electron-transport properties of the C$_{60}$ clusters using density-functional calculations and…
Filamentary high-temperature superconductivity (HTSC) theory differs fundamentally from continuous HTSC theories because it emphasizes self-organized, discrete dopant networks and does not make the effective medium approximation (EMA).…
Solid state high resolution $^{13}C$ NMR has been used to investigate the physical properties of pristine $C_{60}$ after intercalation with molecular oxygen. By studying the dipolar and hyperfine interactions between Curie type paramagnetic…
We have studied single crystals of $C_{70}$ by Raman scattering and photoluminescence in the pressure range from 0 to 31.1 GPa. The Raman spectrum at 31.1 GPa shows only a broad band similar to that of the amorphous carbon without any trace…
Context. Atomic data is crucial for astrophysical investigations. To understand the formation and evolution of stars, we need to analyse their observed spectra. Analysing a spectrum of a star requires information about the properties of…