6533b7d2fe1ef96bd125df3c
RESEARCH PRODUCT
High-pressure structural and lattice dynamical study ofHgWO4
Oscar GomisJavier López-solanoV. K. PanchalM. MollarAlfonso MuñozSudeshna RayPlácida Rodríguez-hernándezDaniel ErrandoneaDavid Santamaría-pérezFrancisco Javier Manjónsubject
DiffractionLattice dynamicsMaterials scienceCondensed matter physicsPhononCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials Sciencechemistry.chemical_compoundTungstatechemistryHigh pressureLattice (order)Maximum pressureMonoclinic crystal systemdescription
We have synthesized monoclinic mercury tungstate $({\text{HgWO}}_{4})$ and characterized its structural and vibrational properties at room conditions. Additionally, we report the structural and lattice dynamical behavior of ${\text{HgWO}}_{4}$ under high pressure studied by means of x-ray diffraction and Raman-scattering measurements up to 16 GPa and 25 GPa, respectively. The pressure dependence of the structural parameters and Raman-active first-order phonons of monoclinic $C2/c$ ${\text{HgWO}}_{4}$ are discussed in the light of our theoretical first-principles total-energy and lattice dynamics calculations. Our measurements show that the monoclinic phase of ${\text{HgWO}}_{4}$ is stable up to the maximum pressure reached in these experiments. Theoretically predicted possible high-pressure phases and the theoretical pressure dependence of infrared-active modes are also reported.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-07-23 | Physical Review B |