6533b828fe1ef96bd1288427
RESEARCH PRODUCT
High-pressure structural phase transitions in CuWO4
Daniel ErrandoneaSudeshna RayC. Y. TuR. Lacomba-peralesJavier Ruiz-fuertesAlfonso MuñozAlfredo SeguraFernando RodríguezFrancisco Javier ManjónPlácida Rodríguez-hernándezJesus GonzalezJesus GonzalezZh. Zhusubject
Condensed Matter - Materials SciencePhase transitionMaterials scienceCondensed matter physicsEquation of state (cosmology)Ab initioMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciencesTriclinic crystal systemCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsCondensed Matter - Other Condensed MatterCrystallographyPhase (matter)X-ray crystallographyOther Condensed Matter (cond-mat.other)Monoclinic crystal systemSolid solutiondescription
We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase (P-1) to a monoclinic wolframite-type structure (P2/c). Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V0 = 132.8(2) A3, B0 = 139 (6) GPa and = 4. Furthermore, experiments under different stress conditions show that non-hydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO4, B0 = 171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-01-01 |