Search results for "Beta-ag2s"

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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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