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Predicting hidden bulk phases from surface phases in bilayered Sr3Ru2O7.
Pablo Rivero1, Rongying Jin2, Chen Chen2
1Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana, 70803, USA.
Scientific Reports
|September 2, 2017
Summary
Applying pressure to strontium ruthenium oxide (Sr3Ru2O7) causes structural changes and transitions from a ferromagnetic metal to an antiferromagnetic insulator, revealing new material phases.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Ruddlesden-Popper perovskites exhibit diverse properties like superconductivity and catalytic activity.
- The bilayer perovskite Sr3Ru2O7's properties are linked to RuO6 octahedra rotation and tilt.
- Understanding material behavior under extreme conditions is key to discovering new phases and phenomena.
Purpose of the Study:
- Investigate the effects of uniaxial pressure on bulk Sr3Ru2O7.
- Explore phase transitions induced by pressure-induced tilting of RuO6 octahedra.
- Characterize the magnetic and structural changes in Sr3Ru2O7 under compression.
Main Methods:
- First-principles hybrid density functional simulations.
- Application of uniaxial pressure along the c-axis.
- Analysis of structural and magnetic phase transitions.
Main Results:
- Uniaxial pressure induces tilting of RuO6 octahedra in Sr3Ru2O7.
- A structural phase transition occurs at approximately 1.5 GPa.
- A transition from ferromagnetic (FM) metal to antiferromagnetic (AFM) insulator is observed around 21 GPa.
Conclusions:
- Pressure-tuning provides a route to manipulate the phases of Sr3Ru2O7.
- The study reveals distinct AFM spin configurations under pressure.
- Predicting and synthesizing new material phases under extreme conditions is feasible.
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