6533b82bfe1ef96bd128d808

RESEARCH PRODUCT

High-pressure theoretical and experimental study of HgWO4

Daniel ErrandoneaDavid Santamaría-pérezSudeshna RayAlfonso MuñozOscar GomisJavier López-solanoV. K. PanchalM. MollarFrancisco Javier ManjónPlácida Rodríguez-hernández

subject

DiffractionRaman scatteringLow pressuresX ray diffractionAb initioExperimental studiesPressure effectsMolecular physicsStable phasisScatteringCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsX raysScatteringChemistryRaman Scattering measurementsTungstatesCondensed Matter PhysicsX-ray diffractionAmbient pressuresAb initio studyStructural stabilityPhase transitionsFISICA APLICADAX-ray crystallographysymbolsStructural stabilitiesTungsten compoundsAb initio calculationsCalculationsDiffractionStabilityRaman scatteringAmbient pressure

description

HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is analysed. Extending our ab initio study to the range of higher pressures, a sequence of stable phases up to 30GPa is proposed. © 2011 Taylor & Francis.

yearjournalcountryeditionlanguage
2011-03-01
10.1080/08957959.2010.521735https://doi.org/10.1080/08957959.2010.521735