Search results for " Methods"

showing 10 items of 4102 documents

Thallium under extreme compression

2016

We present a combined theoretical and experimental study of the high-pressure behavior of thallium. X-ray diffraction experiments have been carried out at room temperature up to 125 GPa using diamond-anvil cells, nearly doubling the pressure range of previous experiments. We have confirmed the hcp-fcc transition at 3.5 GPa and determined that the fcc structure remains stable up to the highest pressure attained in the experiments. In addition, HP-HT experiments have been performed up to 8 GPa and 700 K by using a combination of x-ray diffraction and a resistively heated diamond-anvil cell. Information on the phase boundaries is obtained, as well as crystallographic information on the HT bcc …

DiffractionEquation of stateMaterials scienceFOS: Physical sciencesThermodynamicschemistry.chemical_element02 engineering and technology01 natural sciencesPressure rangeAb initio quantum chemistry methodsPhysics - Chemical PhysicsPhase (matter)0103 physical sciencesGeneral Materials Science010306 general physicsChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyCondensed Matter PhysicsCompression (physics)Condensed Matter - Other Condensed MatterchemistryThalliumOrthorhombic crystal system0210 nano-technologyOther Condensed Matter (cond-mat.other)Journal of Physics: Condensed Matter
researchProduct

Super-resolved Imaging based upon spatial depolarization of light

2010

In this paper we present a new approach allowing the surpassing of the diffraction based limitation for the achievable resolution provided by imaging systems. It is based on an encoding-decoding process of various spatial pixels or regions in the field of view of the imaged object by orthogonal and differently time varying polarization states. The reconstruction of the original spatial information is obtained by applying a decoding process in a way similar to the encoding one. Although all the spatial information is summed and mixed together by the system, the decoding provides super resolved imaging since in every spatial position the undesired spatial information having time varying polar…

DiffractionHistoryPixelbusiness.industryComputingMethodologies_IMAGEPROCESSINGANDCOMPUTERVISIONField of viewDepolarizationPolarization (waves)Computer Science ApplicationsEducationOpticsGeographybusinessImage resolutionSpatial analysisDecoding methodsJournal of Physics: Conference Series
researchProduct

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…

DiffractionMaterials science02 engineering and technology010402 general chemistry01 natural scienceslaw.inventionDodecahedronAb initio quantum chemistry methodslawMaterials ChemistryPressureBulk modulusCondensed matter physicsMechanical EngineeringMetals and AlloysGarnets021001 nanoscience & nanotechnologySynchrotronAmorphization0104 chemical sciencesX-ray diffractionNanocrystalMechanics of MaterialsX-ray crystallography0210 nano-technologySingle crystal
researchProduct

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…

DiffractionMaterials scienceCondensed matter physicsAuxeticsSpinelMineralogyengineering.materialCondensed Matter PhysicsPoisson's ratioElectronic Optical and Magnetic MaterialsBiomaterialsCondensed Matter::Materials Sciencesymbols.namesakeSphere packingAb initio quantum chemistry methodsElectrochemistrysymbolsengineeringThin filmRaman spectroscopyAdvanced Functional Materials
researchProduct

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…

DiffractionMaterials scienceHigh-pressureThermodynamicsContext (language use)02 engineering and technologyInelastic light scattering010402 general chemistry01 natural sciencesIsothermal processModuliAb initio quantum chemistry methodsMaterials ChemistryBulk modulusBulk modulusSynchrotron radiationMechanical EngineeringMetals and Alloys021001 nanoscience & nanotechnologyX-ray diffractionPhosphors0104 chemical sciencesMechanics of MaterialsFISICA APLICADAX-ray crystallographyCompressibility0210 nano-technologyJournal of Alloys and Compounds
researchProduct

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…

DiffractionMaterials scienceInorganic chemistrychemistry.chemical_element02 engineering and technology010403 inorganic & nuclear chemistry01 natural sciencesOxygenAb initio quantum chemistry methodsStructural Biology0103 physical sciences[CHIM]Chemical SciencesGeneral Materials Science010306 general physicsQuartzBerliniteMechanical EngineeringPhosphorusGeneral ChemistryCondensed Matter Physics021001 nanoscience & nanotechnology0104 chemical sciencesCrystallographychemistryMechanics of MaterialsClose relationshipHigh pressure0210 nano-technologyMonoclinic crystal system
researchProduct

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…

DiffractionMaterials sciencePhononlcsh:MedicineFOS: Physical sciences02 engineering and technology[CHIM.INOR]Chemical Sciences/Inorganic chemistry01 natural scienceschemistry.chemical_compoundsymbols.namesakeCondensed Matter::Materials ScienceAb initio quantum chemistry methodsSelenideCondensed Matter::Superconductivity0103 physical sciences[CHIM.CRIS]Chemical Sciences/Cristallographylcsh:Science010302 applied physicsCondensed Matter - Materials ScienceMultidisciplinaryRietveld refinementlcsh:RMaterials Science (cond-mat.mtrl-sci):NATURAL SCIENCES::Physics [Research Subject Categories][CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyAmorphizationCrystal structure predictionBoron CarbideCrystallographychemistrysymbolslcsh:QOrthorhombic crystal systemNeutron Absorber0210 nano-technologyRaman spectroscopyScientific Reports
researchProduct

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…

DiffractionPhase transitionBulk modulusChemistryMetals and AlloysAb initioAtomic and Molecular Physics and OpticsElectron localization functionElectronic Optical and Magnetic MaterialsCrystalCrystallographyAb initio quantum chemistry methodsMaterials ChemistryIsostructuralActa crystallographica Section B, Structural science, crystal engineering and materials
researchProduct

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.

DiffractionPhase transitionChemistryScattering02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesSingle Crystal DiffractionElectronic Optical and Magnetic MaterialsCrystallographyAb initio quantum chemistry methodsHigh pressure[PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other]0103 physical sciencesX-ray crystallographyPACS : 61.10.Nz 61.82.Fk 62.50.+p 64.30.+t010306 general physics0210 nano-technologySingle crystal
researchProduct

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…

DiffractionPhase transitionEquation of stateHigh-pressurePhononSpinelCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsPhase (matter)Physical and Theoretical ChemistryRamanCondensed matter physicsChemistryDefect chalcopyriteSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsOrdered-vacancy compoundsX-ray diffractionCrystallographyGeneral EnergyFISICA APLICADAsymbolsRaman spectroscopyRaman scattering
researchProduct