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

DOI: 10.1038/s41598-019-51037-8 DOI Help

Authors: Simone Anzellini (Diamond Light Source) , Daniel Errandonea (Universidad de Valencia) , Claudio Cazorla (University of New South Wales Sydney) , Simon Macleod (AWE; The University of Edinburgh) , Virginia Monteseguro (Universidad de Valencia) , Silvia Boccato (Sorbonne Université - UPMC) , Enrico Bandiello (University of Valencia) , Daniel Diaz Anichtchenko (Universidad de Valencia) , Catalin Popescu (CELLS-ALBA Synchrotron Light Facility) , Christine M. Beavers (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Scientific Reports , VOL 9

State: Published (Approved)
Published: October 2019
Diamond Proposal Number(s): 23122

Open Access Open Access

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 E2g mode and the silent B1g mode of Ru to be determined.

Journal Keywords: Condensed-matter physics; Physics

Subject Areas: Physics


Instruments: I15-Extreme Conditions

Other Facilities: ALBA BL04

Documents:
s41598-019-51037-8.pdf