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High-pressure structural phase transitions in CuWO4

DOI: 10.1103/PhysRevB.81.224115 DOI Help

Authors: J. Ruiz Fuertes (Universidad de Valencia) , D. Errandonea (Universidad de Valencia) , R. Lacomba-perales (Universidad de Valencia) , A. Segura (Universidad de Valencia) , J. Gonzalez (Universidad de Cantabria; Universidad de los Andes) , F. Rodriguez (Universidad de Cantabria) , J. Manjon (Universidad Politécnica de Valencia) , S. Ray (Universidad Politécnica de Valencia) , P. Rodríguez-hernández (Universidad de La Laguna) , A. Muñoz (Universidad de La Laguna) , Zh. Zhu (Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences,) , C. Y. Tu (Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences,)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 81 (22) , PAGES 224115

State: Published (Approved)
Published: June 2010
Diamond Proposal Number(s): 683

Abstract: 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 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-0=132.8(2) angstrom(3), B-0=139(6) GPa, and B-0(1)=4. Furthermore, experiments under different stress conditions show that nonhydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO4, B-0=171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

Subject Areas: Physics


Instruments: I15-Extreme Conditions

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