Search results for "Spectroscopy"
showing 10 items of 10293 documents
Pressure measurements of TO-phonon anharmonicity in isotopic ZnS
2004
We have measured the dependence on pressure of the line-widths of the TO and LO Raman phonons of β-ZnS. In order to enhance the phenomena observed, and to eliminate possible effects of isotopic disorder, we have measured a nearly isotopically pure crystal, 68 Zn 32 S. The strongly structured pressure effects observed are interpreted on the basis of anharmonic decay and the corresponding two-phonon density of states.
Density functional study of amorphous, liquid and crystalline Ge(2)Sb(2)Te(5): homopolar bonds and/or AB alternation?
2008
The amorphous, liquid and crystalline phases of the phase change material Ge(2)Sb(2)Te(5) (GST) have been studied by means of density functional/molecular dynamics simulations. The large sample (460 atoms and 52 vacancies in the unit cell) and long simulations (hundreds of picoseconds) provide much new information. Here we extend our original analysis (2007 Phys. Rev. B 76 235201) in important ways: partial coordination numbers and radial distribution functions, bond angle distributions, new local order parameters, vibration frequencies, and the charges on atoms and vacancies. The valence band densities of states in amorphous and crystalline GST are compared with ones from x-ray photoemissi…
Nature of the non-exponential primary relaxation in structural glass-formers probed by dynamically selective experiments
1998
Several experimental methods feature the potential to distinguish between slow and fast contributions to the non-exponential, ensemble averaged primary response in glass-forming materials. Some of these techniques are based on the selection of subensembles using multi-dimensional nuclear magnetic resonance, optical bleaching, and non-resonant spectral hole burning. Others, such as the time-dependent solvation spectroscopy, measure microscopic responses induced by local perturbations. Using several of these methods it could be demonstrated for various glass-forming materials that the non-exponential relaxation results from a superposition of dynamically distinguishable entities. The experime…
Spin crossover in a tetranuclear Cr(III)-Fe(III)3 complex
2004
A novel heteronuclear exchange-coupled complex [Cr I I I {(CN)Fe I I I -( 5 L)} 3 (CN) 3 ] containing a pentadentate blocking ligand 5 L was synthesized. The X-ray structure shows that a meridional isomer applies with inequivalent Fe I I I centers. The complex exhibits a thermally induced spin crossover along with the exchange coupling. Mossbauer spectra indicate a spin transition between S = ½ and S = 5/2 states although a considerable amount of Fe I I I centers stays high-spin at T = 6 K. The magnetization, the magnetic susceptibility, and the Mossbauer data were fitted in one run with a spin crossover model taking into account exchange interactions among all metal centers.
Pressure induced increase in Tc for the organic-based magnet FeII(TCNE)2 (TCNE=tetracyanoethylene)
2013
Abstract Pressure dependent magnetization and 57Fe Mossbauer studies were performed on Fe(TCNE)[C4(CN)8]1/2·zCH2Cl2 (TCNE = tetracyanoethylene). Pressure did not influence the Mossbauer parameters in paramagnetic state. Mossbauer data reveals the onset of magnetic ordering at 130 K and significant enhancement of the magnetic ordering temperature from 100 to 150 K accompanied by an increase of the spontaneous magnetization, which is higher than reported from the magnetic data, and application of pressure induces the reversible formation of a new, metastable magnetic species. These changes suggest an increase of the dimensionality of magnetic interaction, i.e., stronger interlayer coupling. A…
Spin transition in [Fe(phen)2(NCS)2] - �SR study
2004
The reversible thermal spin transition which occurs in [Fe(phen)(2)(NCS)(2)] around T-1/2 similar to 177 K has been investigated by muon spin relaxation (muSR) (similar to10-280 K). The depolarisation curves are well described by two Lorentzian lines represent fast and slow components in the decay curves, with the initial asymmetry parameter of the fast component found to track the spin transition in [Fe(phen)2(NCS),]. Comparison of zero-field and transverse field (20 Oe) muSR measurements shows that diamagnetic muonic species occur over the entire temperature range.
An interface effect in c-oriented (Y/Pr)Ba2Cu3O7 Superlattices: Raman scattering by ‘Forbidden’ phonons
1997
Abstract Raman results of ultrathin layer high Tc superlattices ( Y m Pr 1 )Ba2Cu3O7 (m = 2, 3, 4) exhibit a common feature: new peaks, absent in the bulk compounds. These peaks are attributed to oxygen B1u symmetry modes confined in the YBa2Cu3O7 layers. To explain their Raman activity a mechanism based on the asymmetry of crystal field at Y-Pr layer interfaces is proposed.
Raman scattering study of the anharmonic effects in CeO2−ynanocrystals
2007
We have studied the temperature dependence of the F2g Raman mode phonon frequency and broadening in CeO2−y nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for…
Vibrational properties of ZnTe at high pressures
2002
Raman spectra of ZnTe were measured under hydrostatic pressures up to 15 GPa at T = 300 K. Results for the frequencies of first- and second-order Raman features of the zincblende phase (0-9.5 GPa) are used to set up a rigid-ion model of the phonon dispersion relations under pressure. Calculated phonon densities of states, mode Gruneisen parameters and the thermal expansion coefficient as a function of pressure are discussed. The effect of pressure on the widths and intensities of Raman spectral features is considered. Raman spectra of high-pressure phases of ZnTe are reported. These spectra indicate the possible existence of a new phase near 13 GPa, intermediate between the cinnabar and ort…
First-principles phonon calculations of Fe4+impurity in SrTiO3
2012
The results of hybrid density functional theory calculations on phonons in Sr(Fe(x)Ti(1-x))O(3) solid solution within the formalism of a linear combination of atomic orbitals are presented. The phonon density of states (DOS) calculated for 6.25% Fe(4+) impurities is reported and defect-induced phonon modes are identified. Based on our calculations and group-theoretical analysis, we suggest for the first time an interpretation of experimentally observed Raman- and IR-active modes.