Search results for "HIGH-PRESSURE"

showing 10 items of 63 documents

Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…

2015

The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…

Models MolecularBand gapMolecular ConformationElectronsElectronic structureElectron holeSelenic AcidCrystallography X-RayVibrationMolecular physicsInorganic ChemistryX-RAY-DIFFRACTIONAb initio quantum chemistry methodsHIGH-PRESSUREChromatesPhysical and Theoretical ChemistryChemistrySemimetalCrystallographyELECTRONIC-STRUCTURELeadStrontiumMolecular vibrationQuantum TheoryMetals Rare EarthDirect and indirect band gapsX-RAY-DIFFRACTION; HIGH-PRESSURE; ELECTRONIC-STRUCTURE;Quasi Fermi level
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X-ray diffraction measurements of Mo melting to 119 GPa and the high pressure phase diagram

2009

In this paper, we report angle-dispersive X-ray diffraction data of molybdenum melting, measured in a double-sided laser-heated diamond-anvil cell up to a pressure of 119 GPa and temperatures up to 3400 K. The new melting temperatures are in excellent agreement with earlier measurements up to 90 GPa that relied on optical observations of melting and in strong contrast to most theoretical estimates. The X-ray measurements show that the solid melts from the bcc structure throughout the reported pressure range and provide no evidence for a high temperature transition from bcc to a close-packed structure, or to any other crystalline structure. This observation contradicts earlier interpretation…

MolybdenumShock wave effectsDiffractionMaterials scienceShock (fluid dynamics)General Physics and Astronomychemistry.chemical_elementThermodynamicsMeltingCrystal structureAcoustic wave velocity ; High-pressure effects ; Melting ; Molybdenum ; Phase diagrams ; Shock wave effects ; X-ray diffractionX-ray diffractionUNESCO::FÍSICA::Química físicaHigh-pressure effectsCrystallographychemistryAcoustic wave velocityMolybdenumSpeed of soundHigh pressureX-ray crystallographyPhase diagramsPhysical and Theoretical Chemistry:FÍSICA::Química física [UNESCO]Phase diagram
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Synthesis and characterization of indium oxide at high pressures

2018

Introducción: La naturaleza es sorprendente pero a la vez limitada. A mi entender, nada tiene más potencial que aplicar el ingenio humano para modificar lo que nos rodea y crear algo completamente nuevo. La Física de la Materia Condensada es un campo que actualmente está ganando importancia en la Física moderna. En virtud de los éxitos logrados en Física de la Materia Condensada se han producido enormes avances en el campo de la electrónica cuántica, de los semiconductores y de la ciencia de materiales, teniendo como resultado numerosas aplicaciones tecnológicas que han cambiado nuestras vidas drásticamente en los últimos 50 años. Una de las ramas de la Física de la Materia Condensada es el…

Multi-anvil pressDiamond-anvil cellCharacterization under pressureOptical absorptionPressure sensorUNESCO::FÍSICAEquations of stateNanocrystallinePressure transmitting mediumBulkPressure-temperature phase diagramParis-Edinburg pressX-ray diffractioncorundum-type structure (R-3c):FÍSICA [UNESCO]Indium oxide (In2O3)Raman spectroscopycubic structure (Ia-3)High-pressure high-temperature synthesisPbcn phaseAb initio calculationsPbca phaseScanning electron microscopySynchrotron radiation sources
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Magnetoelectric coupling driven by inverse magnetostriction in multiferroic BiMn3Mn4O12

2013

By means of neutron powder diffraction, we investigated the effect of the polar Bi$^{3+}$ ion on the magnetic ordering of the Mn$^{3+}$ ions in BiMn$_3$Mn$_4$O$_{12}$, the counterpart with \textit{quadruple} perovskite structure of the \textit{simple} perovskite BiMnO$_3$. The data are consistent with a \textit{noncentrosymmetric} spacegroup $Im$ which contrasts the \textit{centrosymmetric} one $I2/m$ previously reported for the isovalent and isomorphic compound LaMn$_3$Mn$_4$O$_{12}$, which gives evidence of a Bi$^{3+}$-induced polarization of the lattice. At low temperature, the two Mn$^{3+}$ sublattices of the $A'$ and $B$ sites order antiferromagnetically (AFM) in an independent manner …

Neutron powder diffractionMAGNETIC-STRUCTURESPEROVSKITEGeneral Physics and AstronomyDefect free02 engineering and technologyDIFFRACTION01 natural sciencesIonLattice (order)BIMNO30103 physical sciencesMultiferroicsCRYSTAL-STRUCTURE010306 general physicsPerovskite (structure)PhysicsAtomic force microscopy021001 nanoscience & nanotechnologyPOLYMORPHISMCrystallographyROOM-TEMPERATUREPolarHIGH-PRESSURE SYNTHESISBIMN7O12[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]0210 nano-technologyTRANSITION
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Two-Stage Origin of K-Enrichment in Ultrapotassic Magmatism Simulated by Melting of Experimentally Metasomatized Mantle

2019

The generation of strongly potassic melts in the mantle requires the presence of phlogopite in the melting assemblage, while isotopic and trace element analyses of ultrapotassic rocks frequently indicate the involvement of subducted crustal lithologies in the source. However, phlogopite-free experiments that focus on melting of sedimentary rocks and subsequent hybridization with mantle rocks at pressures of 1&ndash

Peridotitelcsh:Mineralogylcsh:QE351-399.2lamproites010504 meteorology & atmospheric sciencesLithologyultrapotassicTrace elementGeochemistryGeologyUltrapotassic igneous rocksengineering.material010502 geochemistry & geophysicsGeotechnical Engineering and Engineering Geology01 natural sciencesK-enrichmentMantle (geology)MagmatismengineeringPhlogopiteSedimentary rockhigh-pressure experimentssubduction zonesGeology0105 earth and related environmental sciencesMinerals
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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 …

Phase transitionAb initioThermodynamicsPhase-transitionsCrystal structureElectronic structureLow-temperature formInorganic ChemistryBrillouin-zone integrationsCondensed Matter::Materials Sciencechemistry.chemical_compoundCrystallographyCrystal-structurechemistryBeta-ag2sCationsFISICA APLICADAX-ray crystallographyOrthorhombic crystal systemPhysical and Theoretical ChemistryHigh-pressuresAcanthiteMonoclinic crystal systemInorganic Chemistry
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Structural and vibrational study of pseudocubic CdIn2Se4 under compression

2014

We report a comprehensive experimental and theoretical study of the structural and vibrational properties of a-CdIn2Se4 under compression. Angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy evidence that this ordered-vacancy compound with pseudocubic structure undergoes a phase transition (7 GPa) toward a disordered rocksalt structure as observed in many other ordered-vacancy compounds. The equation of state and the pressure dependence of the Raman-active modes of this semiconductor have been determined and compared both to ab initio total energy and lattice dynamics calculations and to related compounds. Interestingly, on decreasing pressure, at similar to 2 GPa, CdIn2Se…

Phase transitionEquation of stateHigh-pressureHydrostatic pressureAb initioThermodynamicsInitio molecular-dynamicsCondensed Matter::Materials Sciencesymbols.namesakePhase (matter)Physical and Theoretical ChemistryTotal-Energy calculationsPseudocubicHydrostatic pressureRaman-ScatteringChemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsOrdered-vacancy compoundsX-ray diffractionCrystallographyGeneral EnergyCompound semiconductorsAugmented-wave methodFISICA APLICADAX-ray crystallographyAb initiosymbolsCondensed Matter::Strongly Correlated ElectronsRaman spectroscopyInduced phase-transitionsRaman scattering
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Synthesis of a novel zeolite through a pressure-induced reconstructive phase transition process

2013

et al.

Phase transitionMaterials scienceGeneral ChemistryMicroporous materialGeneral MedicineCatalysisX-ray diffractionPropenechemistry.chemical_compoundCrystallographyQUIMICA ORGANICAAdsorptionchemistryChemical engineeringPhase transitionsPropaneFISICA APLICADAScientific methodX-ray crystallographyZeolitesAdsorptionHigh-pressure chemistryZeoliteAngewandte Chemie - International Edition
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Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.

2021

[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal bulk modulus of YBO3 has remained a contentious issue due to a lack of comprehensive experimental and theoretical data and its vibrational modes are far from being understood. Here, we present an experimental-theoretical structural and vibrational study of YBO3. From structural data obtained from synchrotron X-ray diffraction data and ab initio calculations, we have determined the YBO3 bulk modulus, isothermal compressibility tensor and pressure-volume (P-V) equation o…

Phase transitionMaterials scienceHigh-pressure02 engineering and technology010402 general chemistryInelastic light scattering01 natural sciencessymbols.namesakeAb initio quantum chemistry methodsMaterials ChemistryAnisotropyBulk modulusCondensed matter physicsSynchrotron radiationMechanical EngineeringMetals and Alloys021001 nanoscience & nanotechnology0104 chemical sciencesX-ray diffractionPhosphorsMechanics of MaterialsMolecular vibrationFISICA APLICADACompressibilitysymbolsAnisotropy0210 nano-technologyRaman spectroscopyRaman scattering
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The Next White (NEW) detector

2018

[EN] Conceived to host 5 kg of xenón at a pressure of 15 bar in the ¿ducial volume,the NEXTWhite (NEW)apparatus is currently the largest high pressure xenon gas TPC using electroluminescent ampli¿cation in the world. It is also a 1:2 scale model of the NEXT-100 detector scheduled to start searching for ßß0¿ decays in 136Xe in 2019. Both detectors measure the energy of the event using a plane of photomultipliers located behind a transparent cathode. They can also reconstruct the trajectories of charged tracks in the dense gas of the TPC with the help of a plane of silicon photomultipliers located behind the anode. A sophisticated gas system, common to both detectors, allows the high gas puri…

Physics - Instrumentation and DetectorsXenon010308 nuclear & particles physicsEuropean researchLibrary scienceFOS: Physical sciencesInstrumentation and Detectors (physics.ins-det)7. Clean energy01 natural sciencesHigh-pressure xenon chambersTECNOLOGIA ELECTRONICATime Projection Chamber (TPC)Political science0103 physical sciencesmedia_common.cataloged_instanceEuropean unionNeutrinoless double beta decay010306 general physicsInstrumentationMathematical Physicsmedia_commonNEXT-100 experiment
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