Search results for "Ice dynamics"
showing 10 items of 27 documents
High-pressure structural and lattice dynamical study ofHgWO4
2010
We have synthesized monoclinic mercury tungstate $({\text{HgWO}}_{4})$ and characterized its structural and vibrational properties at room conditions. Additionally, we report the structural and lattice dynamical behavior of ${\text{HgWO}}_{4}$ under high pressure studied by means of x-ray diffraction and Raman-scattering measurements up to 16 GPa and 25 GPa, respectively. The pressure dependence of the structural parameters and Raman-active first-order phonons of monoclinic $C2/c$ ${\text{HgWO}}_{4}$ are discussed in the light of our theoretical first-principles total-energy and lattice dynamics calculations. Our measurements show that the monoclinic phase of ${\text{HgWO}}_{4}$ is stable u…
InN thin film lattice dynamics by grazing incidence inelastic x-ray scattering.
2011
Achieving comprehensive information on thin film lattice dynamics so far has eluded well established spectroscopic techniques. We demonstrate here the novel application of grazing incidence inelastic x-ray scattering combined with ab initio calculations to determine the complete elastic stiffness tensor, the acoustic and low-energy optic phonon dispersion relations of thin wurtzite indium nitride films. Indium nitride is an especially relevant example, due to the technological interest for optoelectronic and solar cell applications in combination with other group III nitrides.
Infrared, Mössbauer and lattice dynamics studies of (3-mercaptopropionato)bis(trimethyltin(IV))
1981
Fifty Years of Mössbauer Spectroscopy in Solid State Research - Remarkable Achievements, Future Perspectives
2011
Mossbauer spectroscopy was founded more than fifty years ago based on an outstanding discovery by the young German physicist Rudolf Ludwig Mossbauer while working on his Ph.D. thesis. He discovered the recoilless nuclear resonance fluorescence of gamma radiation and was awarded the Nobel Prize in Physics in 1961 as one of the youngest recipients of this most prestigious award. His discovery led to the development of a new technique for measurements of hyperfine interactions between nuclear moments and electromagnetic fields. This method, with highest sharpness of tuning of 10–13, yields information on valence state, symmetry, magnetic behavior, phase transition, lattice dynamics and other s…
Lattice dynamics of the ionic superconductor Li4C60. Inelastic neutron scattering and powder averaged lattice dynamics (PALD) investigations
2016
EXAFS study of hydrogen intercalation into ReO 3 using the evolutionary algorithm.
2014
In this study we have investigated the influence of hydrogen intercalation on the local atomic structure of rhenium trioxide using a new approach to EXAFS data analysis, based on the evolutionary algorithm (EA). The proposed EA-EXAFS method is an extension of the conventional reverse Monte Carlo approach but is computationally more efficient. It allows one to perform accurate analysis of EXAFS data from distant coordination shells, taking into account both multiple-scattering and disorder (thermal and static) effects. The power of the EA-EXAFS method is first demonstrated on an example of the model system, pure ReO3, and then it is applied to an in situ study of hydrogen bronze HxReO3 upon …
Etude theorique de la dynamique du réseau de batio en phase quadratique
1999
Abstract The lattice dynamics of barium titanate BaTiO 3 is discussed quantitatively in the framework of a shell model taking into account the electronic polarizabilities of the constituent ions and including Coulomb and short-range interactions. The results of calculations point out the important role of the anisotropic oxygen polarizability. There is a good agreement between calculated and experimental dispersion curves.
Temperature-dependent EXAFS study of the local structure and lattice dynamics in cubic Y2O3
2016
The local structure and lattice dynamics in cubic Y2O3were studied at the YK-edge by X-ray absorption spectroscopy in the temperature range from 300 to 1273 K. The temperature dependence of the extended X-ray absorption fine structure was successfully interpreted using classical molecular dynamics and a novel reverse Monte Carlo method, coupled with the evolutionary algorithm. The obtained results allowed the temperature dependence of the yttria atomic structure to be followed up to ∼6 Å and to validate two force-field models.
The Heisenberg dynamics of spin systems: A quasi*‐algebras approach
1996
The problem of the existence of the thermodynamical limit of the algebraic dynamics for a class of spin systems is considered in the framework of a generalized algebraic approach in terms of a special class of quasi*-algebras, called CQ*-algebras. Physical applications to (almost) mean-field models and to bubble models are discussed. © 1996 American Institute of Physics.
Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN): insights from a supercell approach
2011
Abstract We report construction of a model of polar nanoregions in the PMN relaxor ferroelectric based on first-principles lattice dynamics for chemically ordered supercells [S.A. Prosandeev et al., Phys. Rev. B 70, 134110 (2004)], combined with invariance under permutations and dipole-dipole interaction as a source supporting randomly oriented residual polarization. Representative analytical estimates of polar nanore-gion — supercell mapping reproduce both nonzero local and zero macroscopic polarization of the structure, as well as the temperature change of the supercell anisotropy at cooling and field cooling.