Search results for "Phase Transition"
showing 10 items of 1281 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 …
Electronic structure and optical properties of CdTe rock-salt high pressure phase
2003
This paper reports on optical absorption and reflectance measurements in thin CdTe samples up to 15 GPa. All studied samples become virtually opaque at the pressure transition between the zinc-blende and rock-salt phases (3.9 GPa). As pressure increases up to 10 GPa, a relative transparency region is observed between 1.2 eV and 2.4 eV, whose high energy edge shifts to higher photon energies. Above 10 GPa the transparency region gradually shrinks and disappears at about 11 GPa. The low energy side of the absorption spectrum is attributed to free carrier absorption, as electronic structure calculations show that rock-salt CdTe is a semimetal or a low gap semiconductor. Band filling effects lo…
Pressure and temperature dependence of the band-gap in CdTe
2003
In this paper we report on isothermal compression measurements (up to 5 GPa and 500 K) of the optical absorption edge of 1 μm epitaxial layers of CdTe growth by metalorganic chemical vapor deposition (MOCVD) on GaS substrates. The isothermal blue shift under pressure of the direct energy gap (Γ v 15 → Γ c 1 ) in the zinc-blende phase is about 7.1 × 10 -2 eV GPa -1 and is found to be independent of temperature within the experimental errors. The isobaric red shift in the stability range of the zinc-blende phase is about -3.76 × 10 -4 eV K -1 . Regarding the phase transitions, no discontinuity in the energy gap has been found in the narrow pressure range where the cinnabar phase can be presen…
Compositional dependence of element-specific magnetic moments in Ni2MnGa films
2009
Element-specific magnetic moments were investigated for epitaxial Ni2Mn1+xGa1−x and (Ni2MnGa)1−x(Co2FeSi)x Heusler films using x-ray absorption spectroscopy and x-ray circular magnetic dichroism in transmission. The epitaxial films of the Ni2MnGa-derived compositions were prepared by dc-sputtering on Al2O3 substrates at 773 K. X-ray diffraction confirms a (1 1 0) oriented growth. An increase in the Mn concentration reduces the magnetic spin moment of both Mn and Ni. An increase in the content of Co2FeSi in the Ni2MnGa compound leads to an increase in the Mn and Ni spin moments and to a decrease in Tm for 5% Co2FeSi and finally to a suppression of the phase transition for 20% Co2FeSi. The or…
Dielectric barrier discharge at the triglycine sulfate crystal surface: the role of the electric field of the domain structure
2014
Dielectric barrier discharges (DBD) at the triglycine sulfate crystal surface, generated in air under controlled gas pressure, have been investigated. Electrical characterization of these DBD discharges, produced at temperatures below as well as above the ferroelectric phase transition, are presented. The influence of the electric field of the domain structure on these DBD discharges are discussed in the frame of a model which takes into account the dynamics of the domain structure of the ferroelectric barrier under the action of an external voltage.
Simulataneous application of charge coupled device array-detected Raman spectroscopy and differential scanning calorimetry to in situ investigation o…
1992
The combination of differential scanning calorimetry (DSC) with charge coupled device (CCD) array-detected Raman spectroscopy for the in situ investigation of phase transition is illustrated using ammonium nitrate as an example. This method aids unambiguous characterization of different phases by providing a simultaneous probe of thermodynamic and vibrational data. The availability of real-time vibrational data, including both the internal and external mode regions, is unique to array-detected Raman spectroscopy. The intensity changes of the symmetric stretching mode ν1 of the nitrate ions and the lattice vibrations, that accompany the phase transition IV → II of ammonium nitrate, are ratio…
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…
Spin transport across antiferromagnets induced by the spin Seebeck effect
2018
For prospective spintronics devices based on the propagation of pure spin currents, antiferromagnets are an interesting class of materials that potentially entail a number of advantages as compared to ferromagnets. Here, we present a detailed theoretical study of magnonic spin current transport in ferromagnetic-antiferromagnetic multilayers by using atomistic spin dynamics simulations. The relevant length scales of magnonic spin transport in antiferromagnets are determined. We demonstrate the transfer of angular momentum from a ferromagnet into an antiferromagnet due to the excitation of only one magnon branch in the antiferromagnet. As an experimental system, we ascertain the transport acr…
CaSO4 and its pressure-induced phase transitions. A density functional theory study
2012
Theoretical investigations concerning possible calcium sulfate, CaSO(4), high-pressure polymorphs have been carried out. Total-energy calculations and geometry optimizations have been performed by using density functional theory at the B3LYP level for all crystal structures considered. The following sequence of pressure-driven structural transitions has been found: anhydrite, Cmcm (in parentheses the transition pressure) → monazite-type, P2(1)/n (5 GPa) → barite-type, Pnma (8 GPa), and scheelite-type, I4(1)/a (8 GPa). The equation of state of the different polymorphs is determined, while their corresponding vibrational properties have been calculated and compared with previous theoretical r…
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…