High pressure structure studies of 6H-SrIrO3 and the octahedral tilting in 3C-SrIrO3 towards a post-perovskite

Kronbo, Camilla Hjort; Nielsen, Martin; Kevy, Simone M.; Parisiades, Paraskevas; Bremholm, Martin

doi:10.1016/j.jssc.2016.03.012

Cited by 10 publications

(7 citation statements)

References 62 publications

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“…Using the volumes obtained from Le Bail refinement of the selected azimuthal slice in Pbnm yielded the values K 0 = 187.4(15) GPa and K 0 ’ = 2.82(7) (see fit in Figure a). The bulk modulus obtained from the latter is almost identical to the bulk modulus reported for orthorhombic perovskite SrIrO 3 ( K 0 = 187.1(9) GPa) Figure b shows the octahedral tilting angle, Φ, as a function of pressure obtained from Le Bail refinement of the orthorhombic structure in the whole pressure interval.…”

Section: Resultssupporting

confidence: 77%

“…The bulk modulus obtained from the latter is almost identical to the bulk modulus reported for orthorhombic perovskite SrIrO 3 (K 0 = 187.1(9) GPa). 43 Figure 7b shows the octahedral tilting angle, Φ, as a function of pressure obtained from Le Bail refinement of the orthorhombic structure in the whole pressure interval. The tilting angle is calculated from the lattice parameters as Φ = cos −1 (√2a 2 /bc) for Pbnm perovskites.…”

Section: Compression Of Sroso 3 At Roommentioning

confidence: 99%

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High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite

et al. 2022

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Using a recently developed method for in situ high-pressure, laser heating experiments in diamond anvil cells, we obtained a novel post-perovskite phase of SrOsO3. The phase transition from perovskite SrOsO3 was induced at 44 GPa and 1350 K in a diamond anvil cell and characterized with synchrotron powder X-ray diffraction. The newly obtained post-perovskite is quenchable and Le Bail refinements under ambient conditions yielded the unit cell parameters: a = 3.152(9) Å, b = 10.82(2) Å, c = 7.27(1) Å, V = 248.1(1) Å3. In addition, the compression of perovskite SrOsO3 at ambient temperature was investigated up to 66 GPa in a diamond anvil cell using synchrotron powder X-ray diffraction. The compression at ambient temperature showed that pressure alone does not induce the first-order phase transition to the post-perovskite structure. However, at 36 GPa, a continuous phase transition to monoclinic (P21/n) symmetry was detected, persistent up to 58 GPa, where the perovskite transitioned back to orthorhombic (Pbnm) symmetry. Fitting a third-order Birch–Murnaghan equation of state to the obtained P–V data for perovskite SrOsO3 yielded a bulk modulus of K 0 = 187.4(15) GPa. Density functional theory calculations were performed to support the experimental findings in the compression study at ambient temperature. This work shows that transformations to the post-perovskite structure can be obtained for a wider range of perovskites than simple empirical rules otherwise suggest.

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Section: Resultssupporting

confidence: 77%

Section: Compression Of Sroso 3 At Roommentioning

confidence: 99%

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite

et al. 2022

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“…In order to further assess the catalytic properties of 6H-SrIrO 3 , we synthesized 3C-phase SrIrO 3 perovskite (3C-SrIrO 3 ) as a reference material for comparative studies. 3C-SrIrO 3 adopts a well-known pseudo-cubic structure, in which all the IrO 6 octahedra are corner-shared (see its crystal structure in Supplementary Figure 11 ) 29 . Additionally, the thinfilms of 3C-SrIrO 3 were recently demonstrated to give the best intrinsic catalytic activity for OER in acid 16 , due to the in situ generation of amorphous IrO x on the surface by serious strontium leaching during electrocatalysis.…”

Section: Resultsmentioning

confidence: 99%

Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers

et al. 2018

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The widespread use of proton exchange membrane water electrolysis requires the development of more efficient electrocatalysts containing reduced amounts of expensive iridium for the oxygen evolution reaction (OER). Here we present the identification of 6H-phase SrIrO3 perovskite (6H-SrIrO3) as a highly active electrocatalyst with good structural and catalytic stability for OER in acid. 6H-SrIrO3 contains 27.1 wt% less iridium than IrO2, but its iridium mass activity is about 7 times higher than IrO2, a benchmark electrocatalyst for the acidic OER. 6H-SrIrO3 is the most active catalytic material for OER among the iridium-based oxides reported recently, based on its highest iridium mass activity. Theoretical calculations indicate that the existence of face-sharing octahedral dimers is mainly responsible for the superior activity of 6H-SrIrO3 thanks to the weakened surface Ir-O binding that facilitates the potential-determining step involved in the OER (i.e., O* + H2O → HOO* + H+ + e¯).

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“…The bulk phase diagrams and lattice structures of SrIrO 3 and SrTiO 3 are shown in Figure b and c . Perovskite SrIrO 3 has an orthorhombic structure (space group Pbnm ) from 300 K down to low temperature, with rotation angles of typically 10° or larger about the pseudocubic lattice axes. , SrTiO 3 is cubic ( Pm 3̅ m ) but transforms into a tetragonal phase ( I4mcm ) below 105 K, where it forms three possible domains. Its transition temperature, as well as the magnitude of the distortion can be controlled by, for example, Ca- or Ba-doping. − …”

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Coupling Lattice Instabilities Across the Interface in Ultrathin Oxide Heterostructures

Thiel

Fowlie

Autieri

et al. 2020

ACS Materials Lett.

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Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with distinct lattice symmetries. Here we determine the effect of the cubic-tetragonal distortion of SrTiO 3 on the electronic properties of thin films of SrIrO 3 , a topological crystalline metal hosting a delicate interplay between spin-orbit coupling and electronic correlations. We demonstrate that below the transition temperature at 105 K, SrIrO 3 orthorhombic domains couple directly to tetragonal domains in SrTiO 3 . This forces the inphase rotational axis to lie in-plane and creates a binary domain structure in the SrIrO 3 film. The close proximity to the metal-insulator transition in ultrathin SrIrO 3 causes the individual domains to have strongly anisotropic transport properties, driven by a reduction of bandwidth along the in-phase axis. The strong structure-property relationships in perovskites make these compounds particularly suitable for static and dynamic coupling at interfaces, providing a promising route towards realizing novel functionalities in oxide heterostructures.Engineering matter with tailored properties is one of the main objectives in materials science. Perovskite oxides have been at the center of attention due to the combination of a flexible lattice structure and strong structure-property relationships. At heterointerfaces, structural phases and domain patterns that are not present in bulk can manifest. 1-3 Such artificial phases can have a marked effect on electronic and magnetic properties and have been shown to modify features such as magnetic anisotropy, 4,5 interfacial ferromagnetism 6-8 and ferroelectricity. 9 Recent years have seen an increasing amount of attention focused on the exploration of nanoscale domains, which have emerged as an abundant source of novel physical properties. [10][11][12][13][14] Control of such domain patterns however, remains an open challenge. A possible way forward is to incorporate materials that undergo structural phase transitions. A canonical example is SrTiO 3 , a widely used material that undergoes a transition from a cubic to a tetragonal phase when lowering the temperature below 105 K. At this temperature, SrTiO 3 breaks up into ferroelastic domains in which TiO 6 octahedra rotate about one of three possible directions. 15 When SrTiO 3 is used as a substrate for heteroepitaxial growth, the rotational distortion and resulting domain pattern can interact with the thin film due to octahedral connectivity across the interface. 16 In this context, semimetal SrIrO 3 is of particular interest, since dimensionality and octahedral rotations have been shown to be pivotal in the delicate interplay between spin-orbit coupling (SOC) and electronic correlations. [17][18][19]

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High pressure structure studies of 6H-SrIrO3 and the octahedral tilting in 3C-SrIrO3 towards a post-perovskite

Cited by 10 publications

References 62 publications

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite

Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers

Coupling Lattice Instabilities Across the Interface in Ultrathin Oxide Heterostructures

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High pressure structure studies of 6H-SrIrO3 and the octahedral tilting in 3C-SrIrO3 towards a post-perovskite

Cited by 10 publications

References 62 publications

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3─Discovery of a Post-Perovskite

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3─Discovery of a Post-Perovskite

Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers

Coupling Lattice Instabilities Across the Interface in Ultrathin Oxide Heterostructures

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High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite

High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO₃─Discovery of a Post-Perovskite