Search results for "Soft modes"
showing 10 items of 29 documents
Low temperature optical spectroscopy of low-spin ferric hemeproteins
1996
We report the Soret absorption spectra (500-350 nm) of the cyanomet derivatives of human hemoglobin and horse myoglobin, in the temperature range 300-20 K and in two different solvents (65% v/v glycerol-water or 65% v/v ethylene glycol-water). In order to obtain information on stereodynamic properties of active site of the two hemeproteins, we perform an analysis of the band profiles within the framework of electron-vibrations coupling. This approach enables us to single out the various contributions to the spectral bandwidth, such as those arising from non-radiative decay of the excited electronic state (homogeneous broadening) and from the coupling of the electronic transition i) with hig…
Fluctuations and elastic properties of lipid membranes in the gel Lβ′ state: a coarse-grained Monte Carlo study
2010
We study the stress distribution profiles and the height and thickness fluctuations of lipid membranes in the gel L-beta ' state by Monte Carlo simulations of a generic coarse-grained model for lipid membranes, which reproduces many known properties of dipalmitoylphosphatidyncholine (DPPC) bilayers. The results are related to the corresponding properties of fluid membranes, and to theoretical predictions for crystalline and hexatic membranes. One striking observation is that the spontaneous curvature of the monolayers changes sign from the fluid to the gel phase. In the gel-phase, the long-wavelength height fluctuations are suppressed, and the fluctuation spectrum is highly anisotropic. In …
The Peculiar Physical Properties of Nanosized Ferroics (Nanoferroics)
2013
This Chapter contains the experimental facts about size effects in nanoferroics. They include ferroelectric, ferroelastic, magnetic and multiferroic nanostructured materials. The main peculiar feature of nanoferroics is the geometric confinement originating from their surfaces and interfaces. This is in contrast to the ordinary bulk ferroics, where the sample surface plays a minor role. In particular, in nanoferroics, the surface generates the physical properties gradients in the normal (to the surface) direction. This fact yields strong size effects and spatial inhomogeneity of the nanoferroics properties, which should be taken into account to get their adequate physical description. We re…
Experimental evidence for a local disorder in pure and doped perovskites
1992
Abstract In the soft mode picture, the ferroelectric phase transitions in most of ABO3 perovskites are triggered by the long wavelength oscillations of the B ions against their oxygen cage. There is now a lot of experimental evidence that this picture is incomplete. An extra contribution has to be included in the dynamical response. This contribution is usually thought to arise from local lattice distorsions; this is what will be called local disorder. A complete understanding of this local disorder requires the experimental determination of the microscopic origin, of the dynamics and spatial extension of the lattice distorsions. A useful way to summarize these requirements is to use the co…
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…
QTAIM View of Metal-Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters
2012
The experimental and theoretical charge densities in the sulfido-bridged cluster compounds Fe2(μ-S2)(CO)6 (1), Fe3(μ3-S)2(CO)9 (2), Mn2(μ-S2)(μ-CO)(CO)6 (3), and Fe2(μ-S2)(CO)5(PPh3) (4) have been studied using the quantum theory of atoms in molecules (QTAIM) methodology. High-resolution X-ray diffraction data have been measured for compounds 2–4 at 100 K. The topological analyses show that only in compounds 1 and 4 is there any evidence for metal–metal bonding in terms of the presence of a bond path. For compound 1, the topology of the Fe2S2 cage is highly dependent on the Fe–Fe separation, and the deformation along this vector is an extremely soft mode. The experimentally observed topolog…
High-pressure transition to the post-barite phase in BaCrO4hashemite
2012
A recent high-pressure study on barium chromate BaCrO${}_{4}$ reported a phase transition but the structure of the high-pressure phase structure could not be identified. This high-pressure phase was suggested to have a monoclinic structure different from other high-pressure forms of $AB$O${}_{4}$-type compounds. In this work, we have carried out x-ray diffraction measurements up to 46 GPa using He as the quasihydrostatic pressure medium and density-functional theory calculations. Our studies allow us to identify the high-pressure phase as the $P$2${}_{1}$2${}_{1}$2${}_{1}$ post-barite-type phase, recently reported for BaSO${}_{4}$. The equations of state of both, the low- and the high-press…
Local dynamics and phase transition in quantum paraelectric SrTiO3 studied by Ti K-edge x-ray absorption spectroscopy
2016
Strontium titanate is a model quantum paraelectric in which, in the region of dominating quantum statistics, the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero- point motion contribution. The enhancement of atomic masses by the substitution of 16 O with 18O decreases the zero-point atomic motion, and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 investigated by Extended X-ray Absorption Fine Structure measurements in the temperature range 6 - 300 K.
Soft mode in PMN–PSN ceramics
2008
Various ordered and disordered (1–x)Pb(Mg1/3Nb2/3)O3 –x Pb(Sc1/2Nb1/2)O3 (PMN–PSN) ceramics were studied by THz transmission spectroscopy in the temperature range of 10–300 K. It is found that the dielectric relaxation dominates in the spectra in higher temperatures, T > 170 K. In contrast, below 150 K, the strength of relaxation becomes so weak that the phonon contribution can be separated. The phonon contributribution in the investigated frequency range (200 GHz–2 THz) is presumably caused by the E component of the Last mode. The component exhibits hardening on cooling in all investigated ceramics and its critical temperature in ferroelectric PMN–PSN ceramics (x = 1, 0.95) is lower than t…
Stimulated-echo NMR spectroscopy of 9Be and 7Li in solids: method and application to ion conductors.
2002
The generation of pure quadrupolar stimulated-echo spectra is successfully demonstrated for the spin-3/2 probe 9Be in a single crystal of triglycine fluoberyllate. This solid exhibits a paraelectric-to-ferroelectric phase transition. From experiments carried out for various mixing times no indications for a slow soft mode could be detected in this crystal. Then ion conducting lithium metal phosphates were studied using 7Li, another spin-3/2 probe which allows for a non-selective excitation of the entire NMR spectrum. In the indium and the scandium phosphates ultra-slow Li hopping processes could be detected directly via the stimulated-echo technique in a time range of up to four orders of m…