Crystal structural evolution of Ru3Sn7under pressure and its implication on possible electronic changes.
K A Irshad1, Anees Pazhedath2, Hrudananda Jena2
1Elettra-Sincrotrone Trieste S.C.p.A. S.S. 14 Km 163, 5 in Area Science Park, Basovizza, 34149 Trieste, Italy.
High pressure studies reveal Ru3Sn7 maintains its cubic structure up to 20 GPa. Researchers observed significant electron-phonon coupling strengthening and d-p hybridization, impacting compressibility and catalytic properties.
Area of Science:
- Condensed Matter Physics
- Materials Science
- High-Pressure Physics
Background:
- Ru3Sn7 is an intermetallic compound with notable catalytic properties and complex electronic structure.
- Its behavior under high pressure (HP) is of interest due to potential applications.
Purpose of the Study:
- To investigate the structural, vibrational, and electronic properties of Ru3Sn7 under HP up to ~20 GPa.
- To understand the underlying mechanisms of observed changes in compressibility and electron-phonon coupling.
Main Methods:
- Synchrotron x-ray powder diffraction for structural analysis.
- Micro-Raman spectroscopy for vibrational studies.
- Density functional theory (DFT) calculations for electronic band structure and phonon dispersion.
Main Results:
- The cubic structure of Ru3Sn7 remains stable up to ~20 GPa, despite local structural changes around 8 GPa.
- A significant strengthening of electron-phonon coupling (EPC) was detected starting at 3 GPa.
- DFT calculations confirmed the stability of the cubic phase and predicted pressure-induced d-p hybridization.
Conclusions:
- Ru3Sn7 exhibits remarkable structural stability under high pressure.
- Pressure-induced d-p hybridization and enhanced EPC are key factors influencing its physical properties.
- These findings provide insights into the behavior of Ru3Sn7 for potential catalytic applications.
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