High-pressure structural phase transitions in CuWO[subscript 4]

Journal Article · Fri Jul 23 04:00:00 EDT 2010 · Phys. Rev. B

DOI:https://doi.org/10.1103/PhysRevB.81.224115· OSTI ID:1002515

Ruiz-Fuertes, J; Errandonea, D; Lacomba-Perales, R; Segura, A; González, J; Rodríguez, F; Manjón, F J; Ray, S; Rodríguez-Hernández, P; Muñoz, A; Zhu, Zh; Tu, C Y ^[1]

---

1. Cantabria

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 (P1{sup -}) 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: V{sub 0} = 132.8(2) {angstrom}{sup 3}, B{sub 0} = 139(6) GPa, and B{prime}{sub 0} = 4. Furthermore, experiments under different stress conditions show that nonhydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO{sub 4}, B{sub 0} = 171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: USDOE
• OSTI ID: 1002515
• Journal Information: Phys. Rev. B, Journal Name: Phys. Rev. B Journal Issue: (22) ; 06, 2010 Vol. 81
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COMPRESSIBILITY
PHASE TRANSFORMATIONS
PRESSURE DEPENDENCE
RAMAN SPECTROSCOPY
STRESSES
X-RAY DIFFRACTION