Search results for "Pressure"
showing 10 items of 4493 documents
Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations
2012
[EN] Angle-dispersive X-ray diffraction measurements have been performed in acanthite, Ag2S, up to 18 GPa in order to investigate its high-pressure structural behavior. They have been complemented by ab initio electronic structure calculations. From our experimental data, we have determined that two different high-pressure phase transitions take place at 5 and 10.5 GPa. The first pressure-induced transition is from the initial anti-PbCl2-like monoclinic structure (space group P2(1)/n) to an orthorhombic Ag2Se-type structure (space group P2(1)2(1)2(1)). The compressibility of the lattice parameters and the equation of state of both phases have been determined. A second phase transition to a …
Pbca-Type In2O3: The High-Pressure Post-Corundum phase at Room Temperature.
2014
High-pressure powder X-ray diffraction and Raman scattering measurements in cubic bixbyite-type indium oxide (c-In2O3) have been performed at room temperature. On increasing pressure c-In2O3 undergoes a transition to the Rh2O3-II structure but on decreasing pressure Rh2O3-II-type In2O3 undergoes a transition to a previously unknown phase with Pbca space group which is isostructural to Rh2O3-III. On further decrease of pressure, we observed a phase transition to the metastable corundum-type In2O3 near room conditions. Recompression of the metastable corundum-type In2O3 at room temperature leads to a transition to the Rh2O3-III phase, thus showing that the Rh2O3-III phase is the post-corundum…
Organic solvents vapor pressure and relative humidity effects on the phase transition rate of α and β forms of tegafur.
2011
The objective of this work was to investigate the relative humidity (RH) and solvent vapor pressure effects on the phase transition dynamics between tegafur polymorphic forms that do not form hydrates and solvates. The commercially available α and β modifications of 5-fluoro-1-(tetrahydro-2-furyl)-uracil, known as the antitumor agent tegafur, were used as model materials for this study. While investigating the phase transitions of α and β tegafur under various partial pressures of methanol, n-propanol, n-butanol, and water vapor, it was determined that the phase transition rate increased in the presence of solvent vapors, even though no solvates were formed. By increasing the relative air h…
The influence of hydrostatic pressure on hysteresis phase transition in spin crossover compounds
1999
Abstract The effect of hydrostatic pressure on the transition temperature and the hysteresis widths of first order spin crossover phase transitions has been studied. A decrease as well as an increase of the hysteresis width with increasing pressure was reported in the literature. The increase of width with increasing pressure contradicts the expectation derived from mean field theory. We remeasured the pressure dependence of the temperature hysteresis of the compound [Fe(phy)2](BF4)2 (phy=1, 10-phenanthroline-2-carbaldehydephenylhydrazone). The spin transition temperatures at ambient temperature are T ↑ 1/2 =289±1 K, T ↓ 1/2 =283±1 K . An increase of the hysteresis width of d Δ T 1/2 / d p=…
Nature of the phase transition in spin crossover compounds
1990
Abstract Starting from the phenomenological free energy describing the spin equilibrium of continuous or gradual high spin (HS) ⇌ low spin (LS) transitions a reduced equation of state has been derived which is of the type known in mean field theories. The continuous HS ⇌ LS transitions of [Fe(2-pic-ND 2 ) 3 ]Cl 2 ·EtOD (2-pic = 2-picolylamine) at ambient pressure and p = 1200 bar and of [Fe(2-pic) 3 ]Cl 2 -MeOH can be classified as isobars above the critical point of the system. Around and below the critical point a complex behaviour is expected for thermodynamic reasons combined with the consequences of an elastic interaction mechanism between the HS and LS complex molecules in the crystal…
Crystal structure of HgGa2Se4 under compression
2013
We report on high-pressure x-ray diffraction measurements up to 17.2 GPa in mercury digallium selenide (HgGa2Se4). The equation of state and the axial compressibilities for the low-pressure tetragonal phase have been determined and compared to related compounds. HgGa2Se4 exhibits a phase transition on upstroke toward a disordered rock-salt structure beyond 17 GPa, while on downstroke it undergoes a phase transition below 2.1 GPa to a phase that could be assigned to a metastable zinc-blende structure with a total cation-vacancy disorder. Thermal annealing at low- and high-pressure shows that kinetics plays an important role on pressure-driven transitions.
Pressure Dependence of the Low-Frequency Dielectric Constant in III-VI Semiconductors
1999
In this work we report on the pressure dependence of the low-frequency dielectric constant parallel to the c-axis (e∥) in GaS, GaSe, and InSe as obtained from direct capacitance measurements. A large increase of e∥ with pressure has been observed. The pressure change of the lattice polarizability along the c-axis is calculated in the framework of a rigid-ion model from the change of the angle of the anion–cation bond with respect to the layer plane, which results in a slight increase of the lattice contribution. Consequently, the pressure behaviour of e∥ is proposed to arise from the large increase of the electronic polarizability along the c-axis. This is explained through a decrease of th…
On the ferroelastic nature of the scheelite-to-fergusonite phase transition in orthotungstates and orthomolybdates
2009
Abstract New evidence supporting the ferroelastic nature of the pressure-induced scheelite-to-fergusonite phase transition in ABO 4 orthotungstates and orthomolybdates (A = Ca, Sr, Ba, Pb, Eu and B = W, Mo) has been obtained from the analysis of Raman spectroscopy data. In the studied scheelite-type compounds, one external translational mode of B g symmetry in the scheelite phase softens up to the transition pressure and then becomes a hard A g mode in the fergusonite high-pressure phase. However, other scheelite-type compounds not undergoing the scheelite-to-fergusonite transition do not show softening of the B g mode. The reported results have allowed us to establish a relationship betwee…
Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression
2020
[EN] High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, evidence the presence of an isostructural phase transition around 2 GPa, a Fermi resonance around 3.5 GPa, and a pressure-induced decomposition of SnSb2Te4 into the high-pressure phases of its parent binary compounds (alpha-Sb2Te3 and SnTe) above 7 GPa. The internal polyhedral compressibility, the behavior of the Raman-active modes, the electrical behavior, and the nature of its different bonds under compression have been discussed and compared with their parent binary…
Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions
2020
The authors acknowledge the assistance of the University Computer Center of Saint-Petersburg State University in the accomplishment of high-performance computations. A.K. is grateful to the Latvian Council of Science project no. lzp-2018/2-0353 for financial support. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.