High-pressure theoretical and experimental study of HgWO4

نویسندگان

  • J. López-Solano
  • P. Rodríguez-Hernández
  • A. Muñoz
  • D. Santamaría-Pérez
  • F. J. Manjón
  • S. Ray
  • O. Gomis
  • M. Mollar
  • V. Panchal
  • D. Errandonea
چکیده

HgWO4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is analyzed. Extending our ab initio study to the range of higher pressures, a sequence of stable phases up to 30 GPa is proposed.

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تاریخ انتشار 2014