Search results for "Diffraction"
showing 10 items of 1584 documents
Uniaxial Pressure Effect on Dielectric Properties of 0.7Na0. 5Bi0.5TiO3‐0.3SrTiO3Ceramics
2014
The 0.7Na0.5Bi0.5TiO3-0.3SrTiO3 ceramics were prepared by a solid-state mixed-oxide technique at 1180°C. X-ray diffraction and Raman spectroscopy studies revealed that the obtained samples possess perovskite structure. The behaviour of the electric permittivity (ɛ) and polarization of these ceramics as a function of uniaxial pressure (0 – 1000 bar) were investigated. Applying pressure shifts and decrease of maximum value of ɛ, a diffuseness of the permittivity characteristics, decrease of the thermal hysteresis and change of the polarization. We discuss our results based on elastic changes in inter-ionic distances in the crystal structure and nanoregions switching processes by pressure. The…
Structural and Dielectric Properties of Na0.99Li0.01NbO3Ceramics
2006
Na0.99Li 0,01 NbO3 ceramics were prepared by solid-state reaction method. The samples were characterized by X-ray diffraction, microstructure and dielectric permittivity measurements. The X-ray diffraction analysis showed that samples have a single phase of perovskite structure with orthorhombic symmetry. Microstructure investigations revealed crystalline structures in grains. It was found that dielectric properties of Na99Li0.01NbO3 ceramic are sensitive to the applied axial pressure. This includes the shift of phase transformation, diffuseness of the ϵ (T) profile and reduction of the thermal hysteresis. These effects can be caused by change in domain structure and anisotropy of crystalli…
Structural and electric characteristics of (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics
2003
Abstract (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics have been prepared by the solid state reaction and studied by X-ray diffraction and by measurements of dielectric and ferroelectric properties between room temperature and 550 °C. A sharp increase in the electric permittivity and dielectric loss near 212 °C (for the first material) and near 205 °C (for the second material) on heating with remarkable thermal hysteresis have been observed. This sharp increase in dielectric responses indicates transformation between normal and relaxor ferroelectric states. The X-ray diffraction study shows that this transformation corresponds to the first order phase transition from te…
Equation of state and high-pressure/high-temperature phase diagram of magnesium
2014
The phase diagram of magnesium has been investigated to 211 GPa at 300 K, and to 105 GPa at 4500 K, by using a combination of x-ray diffraction and resistive and laser heating. The ambient pressure hcp structure is found to start transforming to the bcc structure at ∼45 GPa, with a large region of phase-coexistence that becomes smaller at higher temperatures. The bcc phase is stable to the highest pressures reached. The hcp-bcc phase boundary has been studied on both compression and decompression, and its slope is found to be negative and steeper than calculations have previously predicted. The laser-heating studies extend the melting curve of magnesium to 105 GPa and suggest that, at the h…
Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions
2019
Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray-diffraction experiments up to 120 GPa and 4000 K, determining the phase boundary of the body-centered cubic-to-rhombohedral transition and melting temperatures at different pressures. Melting temperatures have also been established from the observation of temperature plateaus during laser heating, and the results from the density-functional theory calculations. Results obtained from our experiments and calculations a…
Detection of morphotropic phase boundary in A-site/Ca-substituted Na0.5Bi0.5TiO3 complex oxides ferroelectric system
2020
Abstract Vibrational and structural properties of lead-free piezoelectric (1-x)Na0.5Bi0.5TiO3–xCaTiO3 (0 ≤ x ≤ 1.00) solid solutions have been investigated using Raman spectroscopy and X-ray diffraction. Different anomalies were detected and analyzed taking into consideration the phase transition from rhombohedral to orthorhombic phase at room temperature. All Raman bands were interpreted through the variation in the peak positions (frequency) and the corresponding half-widths at half maximum (HWHM) as a function of x. XRD used as a complementary technique to Raman spectroscopy, showed that the rhombohedral – orthorhombic phase transition went gradually through an intermediate phase consist…
Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change materialGe2Sb2Te5
2009
Phase change materials involve the rapid and reversible transition between nanoscale amorphous $(a\text{\ensuremath{-}})$ and crystalline $(c\text{\ensuremath{-}})$ spots in a polycrystalline film and play major roles in the multimedia world, including nonvolatile computer memory. The materials of choice are alloys of Ge, Sb, and Te, e.g., ${\text{Ge}}_{2}{\text{Sb}}_{2}{\text{Te}}_{5}$ (GST) in digital versatile disk--random access memory. There has been much speculation about the structure of $a\text{\ensuremath{-}}$ GST, but no model has yet received general acceptance. Here we optimize the structure by combining the results of density-functional calculations with high-energy x-ray diffr…
Dense Post-Barite-type Polymorph of PbSO4 Anglesite at High Pressures
2019
Synchrotron X-ray diffraction measurements on lead sulfate have been performed up to 67 GPa using He as pressure transmitting medium. Experiments reveal the existence of a reversible pressure-induced phase transition from the initial Pnma barite-type to the P212121 post-barite-type structure at pressures above 27 GPa. This phase transition involves a volume collapse of 2.4% and requires a considerable pressure overshoot (large pressure range with coexistence of phases) to overcome the large kinetic barrier of the transition. DFT calculations confirm the experimental observations and support the hypothesis that post-barite-type phase is the thermodynamically stable high-pressure structure fo…
Low-pressure ferroelastic phase transition in rutile-type AX2 minerals: cassiterite (SnO2), pyrolusite (MnO2) and sellaite (MgF2)
2019
The structural behaviour of cassiterite (SnO2), pyrolusite (MnO2) and sellaite (MgF2), i.e. AX2-minerals, has been investigated at room temperature by in situ high-pressure single-crystal diffraction, up to 14 GPa, using a diamond anvil cell. Such minerals undergo a ferroelastic phase transition, from rutile-like structure (SG: P42/mnm) to CaCl2-like structure (SG: Pnnm), at ≈ 10.25, 4.05 and 4.80 GPa, respectively. The structural evolution under pressure has been described by the trends of some structure parameters that are other than zero in the region of the low-symmetry phase’s stability. In particular, three tilting-angles (ω, ω′, ABS) and the metric distortion of the cation-centred oc…
Crystal behavior of potassium bromate under compression.
2015
We report on high-pressure angle-dispersive X-ray diffraction data up to 15 GPa andab initiototal-energy calculations up to 242 GPa for KBrO3. No phase transition was found below 15 Pa in contrast to previously reported data. Its experimental bulk modulus in the quasi-hydrostatic regime isB0= 18.8 (9) GPa with a bulk modulus pressure derivativeB′0= 8.2 (4). However, according to ourab initiocalculations, KBrO3significantly reduces its rhombohedral distortionviasmall cooperative movements of the atoms and the structure progressively approaches the cubic symmetry, where the KBr subarray would adopt a topology similar to that of the corresponding B2-type bromide. This rearrangement of atoms is…