0000000000631457
AUTHOR
Zh. Zhu
High-pressure structural phase transitions in CuWO4
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, experim…
Growth, characterization, and high-pressure optical studies of CuWO4
Copper tungstate (CuWO4) crystals grown by the top-seeded solution growth method were characterized by X-ray diffraction, Raman scattering, and optical measurements. CuWO4 has a triclinic structure (P 1¯) with a = 4.709 A, b = 5.845 A, c = 4.884 A, α = 88.3°, β = 92.5°, and γ = 97.2°. It consists of corner-linked CuO6 and WO6 octahedra, the former having a pseudo-tetragonally elongated geometry caused by the Cu2+ Jahn–Teller effect. Fifteen out of the eighteen Raman modes of CuWO4 are reported, discussed, and compared with those of other tungstates. We also determined the indirect band-gap energy of CuWO4 (2.3 eV) and its negative pressure coefficient up to 25 GPa. The pressure evolution of…