Search results for "FFR"
showing 10 items of 1798 documents
Landau theory applied to phase transitions in calcium orthotungstate and isostructural compounds
2007
The pressure-driven tetragonal-to-monoclinic phase transition in CaWO4 and related scheelite-structured orthotungstates is analysed in terms of spontaneous strains. Based upon our previous high-pressure x-ray diffraction results and the Landau theory, it is suggested that the scheelite-to-fergusonite transition is of second order in nature.
High-pressure structural behaviour of HoVO4: combined XRD experiments and ab initio calculations.
2014
We report a high-pressure experimental and theoretical investigation of the structural properties of zircon-type HoVO4. Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic and partial non-hydrostatic conditions up to 28 and 23.7 GPa, respectively. In the first case, an irreversible phase transition is found at 8.2 GPa. In the second case, the onset of the transition is detected at 4.5 GPa, a second (reversible) transition is found at 20.4 GPa, and a partial decomposition of HoVO4 was observed. The structures of the different phases have been assigned and their equations of state (EOS) determined. Experimental results have also been compared to theoretica…
High-pressure phase transitions and compressibility of wolframite-type tungstates
2010
This paper reports an investigation on the phase diagram and compressibility of wolframite-type tungstates by means of x-ray powder diffraction and absorption in a diamond-anvil cell and ab initio calculations. The diffraction experiments show that monoclinic wolframite-type MgWO4 suffers at least two phase transitions, the first one being to a triclinic polymorph with a structure similar to that of CuWO4 and FeMoO4-II. The onset of each transition is detected at 17.1 and 31 GPa. In ZnWO4 the onset of the monoclinic-triclinic transition has been also found at 15.1 GPa. These findings are supported by density-functional theory calculations, which predict the occurrence of additional transiti…
Structural properties of GaN quantum dots
2006
The strain state and the deformation profile of GaN quantum dots embedded in AlN have been measured by high resolution electron microscopy, medium energy ion scattering and grazing incidence X-ray diffraction. The results are compared with theoretical calculations, allowing one to conclude that GaN quantum dots experience a non biaxial strain which drastically decreases when going from the basal plane up to the apex of the dots. We also demonstrate that AlN is distorted in the surroundings of the dots, which provides the driving force for vertical correlation of GaN dots when the AlN spacer between successive planes is thin enough.
Two-dimensional electrical ordering in physisorbed monolayers
1990
Abstract Monolayers of polar molecules CF3H, CF3Cl and CF2Cl2 have been physisorbed on the graphite (001) surface and studied by X-ray diffraction and dielectric measurements. The temperature-coverage phase diagrams of the quasitwodimensional crystalline phases are presented. The structures of the paraelectric and the electrically ordered phases have been determined. The phase transitions are discussed.
Charge density waves in NbSe3: The models and the experimental evidence
2010
a b s t r a c t Charge density wave (CDW) ordering in the prototypical low-dimensional compound NbSe3 is reconsidered. It is shown that the model with two incommensurate modulations, q1 = (0, 0.241, 0) and q2 = (0.5, 0.260, 0.5), localized on type-III and type-I bi-capped trigonal prismatic columns, does not explain details, revealed by various microscopic methods. An alternative explanation, based on the existence of modulated layered nano-domains below both CDW onset temperatures, is suggested. It accounts for the presence of the q2 modulation in the STM images recorded above the T2 CDW transition and for the absence of q2 satellites in the corresponding diffraction patterns. The long per…
Snapshots of a solid-state transformation: Coexistence of three phases trapped in one crystal
2016
Crystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material [Fe(bpp)(HL)](ClO)·1.5CHO (bpp = 2,6-bis(pyrazol-3-yl)pyridine; HL = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; CHO = acetone), which occurs through ordered diffusion of acetone in a c…
Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides
2007
The crystal structures of 1,4-bis(3,5-di-tert-butyl-2-hydroxybenzamido)butane (1) and 1,3-bis(3,5-di-tert-butyl-2-hydroxybenzamido)-2,2-dimethylpropane (2) have being characterized by single crystal X-ray diffraction. Their crystal packing is discussed in terms of the different interactions they exhibit. A brief discussion, based on hydrogen bonds, on the structural features of bis-(3,5-di-tert-butyl-2-hydroxybenzamide) compounds is carried out.
Ferroelasticity and glass-like behavior in alkali halide-alkali cyanide mixed crystals
1991
Abstract Single crystal neutron diffraction studies in (KBr)1-x(KCN)x are summarized. Mixed crystals with CN− concentrations x > 0.6 exhibit ferroelastic phase transitions from a high-temperature plastic phase into a low-temperature elastically ordered phase in which the CN− orientations show long range orientational order and the center of mass lattice exhibits shear distortions. For concentrations x ≤ 0.6 orientational disorder is frozen-in and transitions into an orientational glass state occur. Close to the critical concentration xc ∼ 0.6 the diffraction profiles at the transition temperatures are dominated by diffuse-scattering contributions. These results are compared to model calcula…
Structure and properties of tris(tetramethylammonium) nonabromodiarsenate(III), [(CH3)4N]3[As2Br9]
2007
The new tetramethylammonium bromoarsenate(III) crystal [(CH3)4N]3 [As2Br9] has been synthesized and its phase behaviour established by differential scanning calorimetry and dilatometry. Three phase transitions are found: at 346/346 K , at 165/171 K and at 157/165 K on cooling/heating. Single-crystal x-ray diffraction studies of phases I (at 370 K) and II (at 298 K) have shown that the structure comprises discrete [As2Br9]3− anions and disordered [(CH3)4N]+ cations. Phase II crystallizes in the polar space group P31c; its polar nature was confirmed by pyroelectric measurements. Phase I has higher symmetry, P63mc or . Dielectric dispersion measurements revealed a relaxation process in the cry…