0000000000247644

AUTHOR

John E. Proctor

showing 6 related works from this author

Monazite-type SrCrO4 under compression

2016

We report a high-pressure study of monoclinic monazite-type SrCrO4 up to 26 GPa. Therein we combined x-ray diffraction, Raman and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO4 near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO4-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO4. We determined the pressure evolution of the band gap for the low-pressure and high-pressure phases as well as the frequencies an…

Phase transitionMaterials scienceBand gapPhononFOS: Physical sciences02 engineering and technologyX-RAY-DIFFRACTION; PRESSURE RAMAN-SCATTERING; PHOTOCATALYTIC PROPERTIES01 natural sciencesPhysics - GeophysicsTetragonal crystal systemsymbols.namesakeX-RAY-DIFFRACTIONAb initio quantum chemistry methodsPhase (matter)0103 physical sciencesPRESSURE RAMAN-SCATTERING010306 general physicsCondensed Matter - Materials ScienceCondensed matter physicsMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyGeophysics (physics.geo-ph)PHOTOCATALYTIC PROPERTIESsymbols0210 nano-technologyRaman spectroscopyMonoclinic crystal systemPhysical Review B
researchProduct

On the high-pressure phase stability and elastic properties ofβ-titanium alloys

2017

We have studied the compressibility and stability of different β-titanium alloys at high pressure, including binary Ti–Mo, Ti–24Nb–4Zr–8Sn (Ti2448) and Ti–36Nb–2Ta–0.3O (gum metal). We observed stability of the β phase in these alloys to 40 GPa, well into the ω phase region in the P–T diagram of pure titanium. Gum metal was pressurised above 70 GPa and forms a phase with a crystal structure similar to the η phase of pure Ti. The bulk moduli determined for the different alloys range from 97  ±  3 GPa (Ti2448) to 124  ±  6 GPa (Ti–16.8Mo–0.13O).

phase stabilityMECHANISMMaterials scienceFluids & Plasmas0204 Condensed Matter PhysicsThermodynamicschemistry.chemical_element02 engineering and technologyCrystal structure01 natural sciencestitanium alloysPhase (matter)0103 physical sciencesGeneral Materials Sciencetitanium0912 Materials EngineeringSUPERELASTICITY010302 applied physicsScience & Technology1007 NanotechnologyPhase stabilityPhysicsDiagramMetallurgyGum metal021001 nanoscience & nanotechnologyCondensed Matter PhysicsTI-24NB-4ZR-8SNSTATEMARTENSITIC-TRANSFORMATIONPhysics Condensed Matterdiamond anvil cellchemistryMETALHigh pressurePhysical SciencesCompressibilityTI0210 nano-technologybiomaterialsTitaniumJournal of Physics: Condensed Matter
researchProduct

Equation of state and high-pressure/high-temperature phase diagram of magnesium

2014

The phase diagram of magnesium has been investigated to 211 GPa at 300 K, and to 105 GPa at 4500 K, by using a combination of x-ray diffraction and resistive and laser heating. The ambient pressure hcp structure is found to start transforming to the bcc structure at ∼45 GPa, with a large region of phase-coexistence that becomes smaller at higher temperatures. The bcc phase is stable to the highest pressures reached. The hcp-bcc phase boundary has been studied on both compression and decompression, and its slope is found to be negative and steeper than calculations have previously predicted. The laser-heating studies extend the melting curve of magnesium to 105 GPa and suggest that, at the h…

DiffractionPhase boundaryEquation of stateMaterials scienceCondensed matter physicsMagnesiumThermodynamicschemistry.chemical_elementCondensed Matter PhysicsElectronic Optical and Magnetic MaterialschemistryPhase (matter)X-ray crystallographyPhase diagramAmbient pressure
researchProduct

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
researchProduct

High Pressure Raman, Optical Absorption, and Resistivity Study of SrCrO4

2018

We studied the electronic and vibrational properties of monazite-type SrCrO4 under compression. The study extended the pressure range of previous studies from 26 to 58 GPa. The existence of two previously reported phase transitions was confirmed at 9 and 14 GPa, and two new phase transitions were found at 35 and 48 GPa. These transitions involve several changes in the vibrational and transport properties with the new high-pressure phases having a conductivity lower than that of the previously known phases. No evidence of chemical decomposition or metallization of SrCrO4 was detected. A tentative explanation for the reported observations is discussed.

Phase transitionPHASE-TRANSITION MCRO4 M PHOTOCATALYTIC PROPERTIESCondensed matter physicsChemistry02 engineering and technologyMCRO4 MConductivity021001 nanoscience & nanotechnology01 natural sciencesInorganic ChemistryPressure rangesymbols.namesakeElectrical resistivity and conductivityHigh pressurePHOTOCATALYTIC PROPERTIES0103 physical sciencesPHASE-TRANSITIONsymbolsPhysical and Theoretical ChemistryAbsorption (chemistry)010306 general physics0210 nano-technologyRaman spectroscopyChemical decompositionInorganic Chemistry
researchProduct

Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions

2019

Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray-diffraction experiments up to 120 GPa and 4000 K, determining the phase boundary of the body-centered cubic-to-rhombohedral transition and melting temperatures at different pressures. Melting temperatures have also been established from the observation of temperature plateaus during laser heating, and the results from the density-functional theory calculations. Results obtained from our experiments and calculations a…

DiffractionPhase boundaryEquation of stateMaterials scienceThermodynamicsVanadiumchemistry.chemical_element02 engineering and technology01 natural sciencesMelting curve analysisCrystalCondensed Matter::Materials ScienceX-RAY-DIFFRACTIONNACLCondensed Matter::Superconductivity0103 physical sciencesELEMENTSCELL010306 general physicsTANTALUMPhase diagramCRYSTALIRON021001 nanoscience & nanotechnologyEQUATION-OF-STATEchemistryX-ray crystallographyCondensed Matter::Strongly Correlated Electrons0210 nano-technologySYSTEM
researchProduct