Search results for "Diffraction"
showing 10 items of 1584 documents
Effect of Substituents on the Molecular Shapes of π-Basic Macrotricyclic Receptors
2010
Molecular recognition between receptor and substrate is optimized when these compounds show complementary shapes, sizes, and interacting moieties. A family of C3v-symmetric macrotricycles 1–4 is presented that incorporate resorcinol- and mesitylene-derived “walls” and “cap”, respectively. These compounds feature, in principle, a tetrahedral π-basic cavity. This paper reports the effect of substituents in the “walls” and the “cap” on the shapes of the macrotricycles in solution (1H NMR), the solid state (X-ray diffraction), and gas phase (calculations). Substitution of the lower position of the “walls” by Br (in 3) or MeS (in 4) has the same effect as ethyl substitution of the “cap” (in 2), …
<title>Relaxation processes in amorphous As-S and As-Se films</title>
1997
The relaxation of optical, mechanical and chemical properties of as-evaporated amorphous As-S and As-Se films while storing them at room temperature is investigated. The AsxS1-x films with arsenic content 0.3 less than x less than 0.4 are found to undergo maximal changes. It is shown that the phenomenon of dark self-enhancement of holograms (an increase of diffraction efficiency over time without any special treatment) can be used as an efficient method for investigation of relaxation processes in the amorphous chalcogenide films. The changes of diffraction efficiency in amorphous As2S3 films have been measured as a function of aging time and recording light intensity. The relaxation proces…
High-pressure structural investigation of several zircon-type orthovanadates
2009
Room temperature angle-dispersive x-ray diffraction measurements on zircon-type EuVO4, LuVO4, and ScVO4 were performed up to 27 GPa. In the three compounds we found evidence of a pressure-induced structural phase transformation from zircon to a scheelite-type structure. The onset of the transition is near 8 GPa, but the transition is sluggish and the low- and high-pressure phases coexist in a pressure range of about 10 GPa. In EuVO4 and LuVO4 a second transition to a M-fergusonite-type phase was found near 21 GPa. The equations of state for the zircon and scheelite phases are also determined. Among the three studied compounds, we found that ScVO4 is less compressible than EuVO4 and LuVO4, b…
Structural and elastic properties of defect chalcopyrite HgGa2S4 under high pressure
2014
In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa2S4) at high pressures. This compound belongs to the family of AB(2)X(4) ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa2S4 have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pres…
The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data
2012
A novel refinement technique for X‐ray diffraction data has been employed to derive S-O bond orders in sulfur dioxide experimentally. The results show that ionic S-O bonding dominates over hypervalency.
Modified YBCO superconductor-ferroelectric composites: Bulk materials and thick films
1996
Bulk samples and 50–125 μm thick films of (1-x)YBa2Cu3O7−δ-xBaTiO3 (0⩽x⩽0.12 by weight) composites have been synthesized, the films being obtained by Stokes sedimentation on SrTiO3 ceramic plates and firing in oxygen by Melt Textured Growth techniques. The phase composition and texture have been studied by X-ray diffraction and microstructure. Resistance and magnetic susceptibility of prepared samples have been measured.
Pressure effect on superconductivity in FeSe0.5Te0.5
2016
Due to the simple layered structure, isostructural FeSe and FeSe0.5Te0.5 are clue compounds for understanding the principal mechanisms of superconductivity in the family of Fe-based superconductors. High-pressure magnetic, structural and Mossbauer studies have been performed on single-crystalline samples of superconducting FeSe0.5Te0.5 with Tc = 13.5 K. Susceptibility data have revealed a strong increase of Tc up to 19.5 K for pressures up to 1.3 GPa, followed by a plateau in the Tc(p) dependence up to 5.0 GPa. Further pressure increase leads to a disappearance of the superconducting state around 7.0 GPa. X-ray diffraction and Mossbauer studies explain this fact by a tetragonal-to-hexagonal…
Pressure-restored superconductivity in Cu-substituted FeSe
2011
Copper doping of FeSe destroys its superconductivity at ambient pressure, even at low doping levels. Here we report the pressure-dependent transport and structural properties of Fe${}_{1.01\ensuremath{-}x}$Cu${}_{x}$Se with 3$%$ and 4$%$ Cu doping and find that the superconductivity is restored. Metallic resistivity behavior, absent in Cu-doped FeSe, is also restored. At the low pressure of 1.5 GPa, superconductivity is seen at 6 K for 4$%$ Cu doping, somewhat lower than the 8 K ${T}_{c}$ of undoped FeSe. ${T}_{c}$ reaches its maximum of 31.3 K at 7.8 GPa, lower than the maximum superconducting temperature in the undoped material under pressure (${T}_{c}$ max of 37 K) but still very high. X…
Structure and superconducting properties of YBa2(Cu1−x Fex)3O7
1988
Fe-substituted Y-Ba-Cu superconducting oxide compounds were investigated by dc-magnetic susceptibility measurements, powder X-ray diffraction and Mdssbauer spectroscopy. Fe substitution caused a structural transformation from orthorhombic to tetragonal. Up to 4 at% Fe Tc was almost unaffected. It was found that superconductivity in Cu oxides does not depend on orthorhombic crystal symmetry.
Evolution of structural and electronic properties of TiSe2 under high pressure
2021
A pressure-induced structural phase transition and its intimate link with the superconducting transition was studied for the first time in TiSe2 up to 40 GPa at room temperature using X-ray diffraction, transport measurement, and first-principles calculations. We demonstrate the occurrence of a first-order structural phase transition at 4 GPa from the standard trigonal structure (S.G.P3¯m1) to another trigonal structure (S-G-P3¯c1). Additionally, at 16 GPa, the P3¯c1 phase spontaneously transforms into a monoclinic C2/m phase, and above 24 GPa, the C2/m phase returns to the initial P3¯m1 phase. Electrical transport results show that metallization occurs above 6 GPa. The charge density wave …