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Room-temperature Raman scattering was measured in ZnWO4 up to 45 GPa. Wereport the pressure dependence of all the Raman-active phonons of thelow-pressure wolframite phase. As pressure increases new Raman peaks appear at30.6 GPa due to the onset of a reversible structural phase transition to adistorted monoclinic b-fergusonite-type phase. The low- and high-pressurephases coexist from 30.6 GPa to 36.5 GPa. In addition to the Raman measurementswe also report ab initio total-energy and lattice-dynamics calculations for thetwo phases. These calculations helped us to determine the crystalline structureof the high-pressure phase and to assign the observed Raman modes in both thewolframite and b-fergusonite phases. Based upon the ab initio calculations wepropose the occurrence of a second phase transition at 57.6 GPa from theb-fergusonite phase to an orthorhombic Cmca phase. The pressure evolution ofthe lattice parameters and the atomic positions of wolframite ZnWO4 are alsotheoretically calculated and an equation of state reported.

Combined Raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator ZnWO4