Search results for "Diffraction"
showing 10 items of 1584 documents
Pressure-induced phase transformations in mineral chalcocite, Cu2S, under hydrostatic conditions
2014
Abstract High-pressure room-temperature angle-dispersive powder X-ray diffraction measurements on Cu2S chalcocite were performed up to 30 GPa using a diamond-anvil cell, He as pressure transmitting medium and synchrotron radiation. Two first-order phase transitions were found at 3.2 and 7.4 GPa. The indexation of the powder diffraction patterns suggests three different monoclinic cells for the low-pressure chalcocite and the two high-pressure phases. Subtle changes in the X-ray diffraction patterns suggest a third pressure-induced transition above 26 GPa. Structural parameters and compressibility are discussed and compared to those reported in a previous study on Cu2S nanowires.
Stability of FeVO4 under Pressure: An X-ray Diffraction and First-Principles Study
2018
The high-pressure behavior of the crystalline structure FeVO4 has been studied by means of X-ray diffraction using a diamond-anvil cell and first-principles calculations. The experiments were carried out up to a pressure of 12.3 GPa, until now the highest pressure reached to study an FeVO4 compound. High-pressure X-ray diffraction measurements show that the triclinic P1 (FeVO4-I) phase remains stable up to ≈3 GPa; then a first-order phase transition to a new monoclinic polymorph of FeVO4 (FeVO4-II′) with space group C2/m is observed, having an α-MnMoO4-type structure. A second first-order phase transition is observed around 5 GPa toward the monoclinic (P2/c) wolframite-type FeVO4-IV structu…
Pressure-Induced Transformations in PrVO4 and SmVO4 and Isolation of High-Pressure Metastable Phases
2013
Zircon-type PrVO4 and SmVO4 have been studied by high-pressure Raman spectroscopy up to 17 GPa. The occurrence of phase transitions has been detected when compression exceeds 6 GPa. The transformations are not reversible. Raman spectra of the high-pressure phases show similarities with those expected for a monazite-type phase in PrVO4 and a scheelite-type phase in SmVO4.The high-pressure phases have been also synthesized using a large-volume press and recovered at ambient conditions. X-ray diffraction measurements of the metastable products recovered after decompression confirms the monazite (PrVO4) and scheelite (SmVO4) structures of the high-pressure phases. Based upon optical properties …
Structural phase transitions on AgCuS stromeyerite mineral under compression.
2012
The structural behavior of mineral Stromeyerite, AgCuS, has been studied by means of angle-dispersive X-ray diffraction measurements up to 13 GPa and ab initio total-energy calculations. Two high-pressure phase transitions are found at 1.4 and 5.7 GPa, from the initial distorted Ni(2)In-type phase (AuRbS-type, RP, space group Cmc2(1)) through an anti-PbClF-type phase (HP1, space group P4/nmm) to a monoclinic distortion of this latter phase (HP2, space group P2(1)/m). The collapse of the metal-metal interatomic distances at the RP-HP1 transition suggests a stronger metallic behavior of the high-pressure phase. The compressibility of the lattice parameters and the equation of state of the fir…
Phase transition in NaSn2(PO4)3 and thermal expansion of NaMIV2 (PO43; MIV = Ti, Sn, Zr
1991
Abstract NaSn2(PO4)3 presents a fast and reversible second order phase transition about 575°C. Both phases above and below the transition point are rhombohedral. The high temperature phase is isostructural with NaTi2(PO4)3 and NaZr2(PO4)3, NZP structure. The lattice thermal expansion of these three compounds has been determined from x-ray diffraction data at different temperatures ranging from room temperature up to 1000°C. Differences in behaviour are discussed in relation to the structure.
Mössbauer gamma-ray diffraction from the molecular crystal KCN
1980
Abstract Mossbauer gamma-ray diffraction was applied to separate the elastic and inelastic scattering intensities from the (200), (400) and (600) Bragg reflections of KCN. The energy resolution of our experiment was 60 neV. The Debye-Waller factor extracted from the elastic data and the thermal diffuse inelastic data both increase towards phase transition, theoretically a logarithmic singularity was predicted.
GaS and InSe equations of state from single crystal diffraction
2007
We have performed single crystal angle dispersive X-ray diffraction at high pressure in order to investigate the GaS and InSe equations of state. We situate the transition from β-GaS to GaS-II at 2 7 0 3. ± . GPa. In the InSe experiment we locate the beginning of the phase transition at 7.6 ± 0.6 GPa. The equations of state of β-GaS ( 0 43 27 0 06V = . ± . Å 3 , 37 2 GPaB = ± , 5 2B = .¢ ), GaS-II ( 0 42 4 0 2V = . ± . Å 3 , 50 3 GPaB = ± and 4 3 0 3B = . ± .¢ ) and γ-InSe ( 0 58 4 0 2V = . ± . Å 3 , 24 3 GPaB = ± and 8 6 0 8B = . ± .¢ ) are discussed and compared with the results of an ab-initio calculation.
Chirality effects on 2D phase transitions
1996
Monolayers of the racemate and pure enantiomers of 1-hexadecyl-glycerol were investigated by grazing incidence X-ray diffraction (GID) at 5 and 20 °C on compression from 0 mN m−1 to pressures greater than 30 mN m−1. The racemate lattice is centred-rectangular for both temperatures at all investigated pressures. However, at both temperatures, there is a sharp phase transition from a low-pressure phase, in which the molecules are tilted towards nearest neighbours (NN) and the distortion azimuth also points towards NN, to a high-pressure phase, in which the molecules are tilted towards next-nearest neighbours (NNN) and an NNN-distorted lattice is observed. At 5 °C, the transition pressure is 1…
Observation of the Cinnabar Phase in ZnSe at High Pressure
2002
In this paper we describe the results of an energy dispersive X-ray diffraction experiment carried out in the ZnSe 1 m x Te x alloy and pure ZnSe under high pressure. In the downstroke the cinnabar phase is observed between the rocksalt and the zincblende phases. The analysis of the whole series of compositions ( x =0, 0.05, 0.1 and 0.2) enables us to establish its lattice parameters in ZnSe ( a =3.785 + and c =8.844 + at 10.5 GPa). The X-ray diffraction pattern simulation suggests that the internal parameters u and v are close to 0.5, indicating that the cinnabar phase in ZnSe is similar to that observed in GaAs and ZnTe. The cinnabar's stability range decreases as the Te content is reduce…
Pressure-Driven Symmetry-Preserving Phase Transitions in Co(IO3)2
2021
[EN] High-pressure synchrotron X-ray diffraction studies of cobalt iodate, Co(IO3)(2), reveal a counterintuitive pressure-induced expansion along certain crystallographic directions. High-pressure Raman and infrared spectroscopy, combined with density-functional theory calculations, reveal that with increasing pressure, it becomes energetically favorable for certain I-O bonds to increase in length over the full range of pressure studied up to 28 GPa. This phenomenon is driven by the high-pressure behavior of iodate ion lone electron pairs. Two pressure-induced isosymmetric monoclinic-monoclinic phase transitions are observed at around 3.0 and 9.0 GPa, which are characterized by increasing o…