Search results for "Methods"
showing 10 items of 4526 documents
Pressure-induced amorphization of the Y3Ga5O12 garnet studied to 1 Mbar
2020
We use micro-beam synchrotron x-ray diffraction to study the pressure-induced amorphization of nano-sized and single crystals of Y3Ga5O12 up to pressures exceeding 1 Mbar in static compression. The abrupt pressure-induced amorphization found for both 56 nm and bulk micrometric crystals at around 76 GPa independently of the pressure transmitting medium employed demonstrates its intrinsic nature, previously predicted at 79 GPa by ab initio calculations. The single crystal structural solution at 50 GPa shows that the contraction of the unit-cell, mostly accommodated by the compressible YO8 dodecahedra, gives rise to a regularization and tilting increase of the GaO6 polyhedra with the Y?O-Ga an…
The Poisson Ratio in CoFe2O4Spinel Thin Films
2012
The response of epitaxial CoFe2O4 thin films to biaxial compressive stress imposed by MgAl2O4 and SrTiO3 single crystalline substrates is studied using X-ray diffraction and Raman spectroscopy. It is found that the Poisson ratio ν signals a non-auxetic behavior and depends on the substrate used. The Raman modes show an increase in frequency when increasing compressive strain by reducing film thickness; this is due to the shrinking of the unit cell volume. Such behavior is in qualitative agreement with recent ab initio calculations, although the measured values are significantly smaller than predictions. In contrast, the measured Poisson ratio is found to be in good agreement with expectatio…
GdBO3 and YBO3 crystals under compression
2021
High-pressure X-ray diffraction studies on nanocrystals of the GdBO3 and YBO3 rare-earth orthoborates are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The subsequent determination of the room-temperature pressure-volume equations of state is presented and discussed in the context of contemporary publications which contradict the findings of this work. In particular, the isothermal bulk moduli of GdBO3 and YBO3 are found to be 170(13) and 163(13) GPa respectively, almost 50% smaller than recent findings. Our experimental results provide an accurate revision of the high-pressure compressibility behaviour of GdBO3 and YBO3 which is consistent with the known systematics in isomor…
Sixfold coordinated phosphorus by oxygen in AlPO4 quartz homeotype under high pressure.
2007
International audience; AlPO4 belongs to the berlinite quartz homeotype family, which has been the subject of intense high pressure research triggered by the supposed existence of reversible pressure induced amorphization. New x-ray diffraction experiments, complemented with ab initio calculations, demonstrate the existence of two high pressure crystalline polymorphs and show that AlPO4 share the same two stage densification mechanism as silica. In first place a compact hexagonal sublattice of oxygen atoms is formed. In a second step the cations redistribute in the interstices giving rise to a monoclinic distorted CaCl2 phase. The most outstanding feature of the new phase is that phosphorou…
Discovery of new boron-rich chalcogenides: Orthorhombic B6X (X=S, Se)
2020
The authors thank T. Chauveau (LSPM) for help with Rietveld analysis, A. Jamali (LRCS) for assistance with SEM measurements, and Drs. Y. Tange (SPring-8) and N. Guignot (SOLEIL) for help in synchrotron experiments that were carried out during beamtimes allocated to proposals 2017A1047 & 2018A1121 at SPring-8 and proposal 20170092 at SOLEIL. Ab initio calculations have been performed using Rurik and Arkuda supercomputers. This work was financially supported by the European Union’s Horizon 2020 Research and Innovation Programme under Flintstone2020 project (grant agreement No. 689279). Z.W. thanks the National Science Foundation of China (grant No. 11604159). A.R.O. thanks the Russian Ministr…
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…
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.
Structural and vibrational properties of CdAl2S4 under high pressure: Experimental and theoretical approach
2014
The behavior of defect chalcopyrite CdAl2S4 at high pressures and ambient temperature has been investigated in a joint experimental and theoretical study. High-pressure X-ray diffraction and Raman scattering measurements were complemented with theoretical ab initio calculations. The equation of state and pressure dependences of the structural parameters of CdAl2S4 were determined and compared to those of other AB(2)X(4) ordered-vacancy compounds. The pressure dependence of the Raman-active mode frequencies is reported, as well as the theoretical phonon dispersion curves and phonon density of states at 1 atm. Our measurements suggest that defect chalcopyrite CdAl2S4 undergoes a phase transit…
Focal shift in optical waves with off-axis focus
2003
We present a formulation for a suitable description of the focal shift in optical waves that have an off-axis focus. This shift that is primarily produced along the chief axis is given in terms of the focal distance and depends only on a parameter that is named as the generalized Fresnel number. Any non-uniform, either truncated and non-apertured optical beam with off-axis focus may be considered.
Single-zone-plate achromatic fresnel-transform setup: Pattern tunability
1997
Abstract White-light point-source illumination results in the chromatic blurring of the optical field diffracted by an aperture. In this paper, broadband dispersion compensation for a continuous set of Fresnel diffraction patterns associated with an arbitrary input transparency is carried out, in a sequential way, by means of a single on-axis blazed zone plate. The input is illuminated with a white-light converging spherical wavefront and the diffractive lens is inserted at the virtual source plane. We recognize that the position of the input along the optical axis permits to achieve a different achromatic Fresnel diffraction pattern with low residual chromatic aberrations. The theory deriv…