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High-pressure structural phase transitions in CuWO4

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 (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)?Å3, B0=139(6)?GPa, and B?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 CuWO4, B0=171(6)?GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Fuente: Physical review. B, 2010, 81, 224115

Editorial: American Physical Society

 Año de publicación: 2010

Nº de páginas: 10

Tipo de publicación: Artículo de Revista

 DOI: 10.1103/PhysRevB.81.224115

ISSN: 1098-0121,1550-235X,2469-9950,2469-9969

Proyecto español: MAT2007-65990-C03-01; MAT2007-65990-C03-03

Url de la publicación: https://doi.org/10.1103/PhysRevB.81.224115

Autores/as

ERRANDONEA, D.

LACOMBA-PERALES, R.

SEGURA, A.

MANJÓN, F. J.

RAY, S.

RODRÍGUEZ-HERNÁNDEZ, P.

MUÑOZ, A.

ZHU, ZH.

TU, Y.