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.

Details

Title
Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell
Author
Anzellini Simone 1   VIAFID ORCID Logo  ; Errandonea, Daniel 2   VIAFID ORCID Logo  ; Cazorla Claudio 3   VIAFID ORCID Logo  ; MacLeod, Simon 4 ; Monteseguro Virginia 2   VIAFID ORCID Logo  ; Boccato Silvia 5 ; Bandiello Enrico 2 ; Anichtchenko Daniel Diaz 2 ; Popescu Catalin 6   VIAFID ORCID Logo  ; Beavers, Christine M 7 

1  Harwell Science & Innovation Campus, Diamond House, Diamond Light Source Ltd., Didcot, UK 
2  Matter at High Pressure (MALTA) Consolider Team, Universidad de Valencia, Edificio de Investigación, Departamento de Física Aplicada - Instituto de Ciencia de Materiales, Valencia, Spain (GRID:grid.5338.d) (ISNI:0000 0001 2173 938X) 
3  University of New South Wales Sydney, School of Materials Science and Engineering, Sydney, Australia (GRID:grid.1005.4) (ISNI:0000 0004 4902 0432) 
4  AWE, Aldermaston, Reading, United Kingdom (GRID:grid.63833.3d) (ISNI:0000000406437510); The University of Edinburgh, SUPA, School of Physics and Astronomy, and Centre for Science at Extreme Conditions, Edinburgh, United Kingdom (GRID:grid.4305.2) (ISNI:0000 0004 1936 7988) 
5  Sorbonne Université - UPMC, UMR CNRS 7590, Muséum National d’Histoire Naturelle, Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie (IMPMC), Paris, France (GRID:grid.410350.3) (ISNI:0000 0001 2174 9334) 
6  CELLS-ALBA Synchrotron Light Facility, 08290 Cerdanyola, Barcelona, Spain (GRID:grid.5338.d) 
7  Harwell Science & Innovation Campus, Diamond House, Diamond Light Source Ltd., Didcot, UK (GRID:grid.5338.d) 
Publication year
2019
Publication date
2019
Publisher
Nature Publishing Group
e-ISSN
20452322
Source type
Scholarly Journal
Language of publication
English
DOI
https://doi.org/10.1038/s41598-019-51037-8
ProQuest document ID
2302411211
Copyright
© The Author(s) 2019. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.