Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell

Simone Anzellini*, Daniel Errandonea, Claudio Cazorla, Simon MacLeod, Virginia Monteseguro, Silvia Boccato, Enrico Bandiello, Daniel Diaz Anichtchenko, Catalin Popescu, Christine M. Beavers

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The high-pressure and high-temperature structural and chemical stability of ruthenium has been investigated via synchrotron X-ray diffraction using a resistively heated diamond anvil cell. In the present experiment, ruthenium remains stable in the hcp phase up to 150 GPa and 960 K. The thermal equation of state has been determined based upon the data collected following four different isotherms. A quasi-hydrostatic equation of state at ambient temperature has also been characterized up to 150 GPa. The measured equation of state and structural parameters have been compared to the results of ab initio simulations performed with several exchange-correlation functionals. The agreement between theory and experiments is generally quite good. Phonon calculations were also carried out to show that hcp ruthenium is not only structurally but also dynamically stable up to extreme pressures. These calculations also allow the pressure dependence of the Raman-active E-2g mode and the silent B-1g mode of Ru to be determined.

Original languageEnglish
Article number14459
Number of pages11
JournalScientific Reports
Volume9
DOIs
Publication statusPublished - 8 Oct 2019

Keywords

  • PHASE-TRANSFORMATIONS
  • PRESSURE
  • OSMIUM
  • PARAMETERS
  • PROGRAM
  • METALS
  • RU
  • FE

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