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. 2024 Aug 30;6(9):6820-6825.
doi: 10.1021/acsaelm.4c01214. eCollection 2024 Sep 24.

Pseudosymmetry in Tetragonal Perovskite SrIrO3 Synthesized under High Pressure

Haozhe Wang  1 , Alberto de la Torre  2 , Joseph T Race  3 , Qiaochu Wang  2 , Jacob P C Ruff  4 , Patrick M Woodward  3 , Kemp W Plumb  2 , David Walker  5 , Weiwei Xie  1
Affiliations

Pseudosymmetry in Tetragonal Perovskite SrIrO3 Synthesized under High Pressure

Haozhe Wang et al. ACS Appl Electron Mater. .

Abstract

In this study, we report a tetragonal perovskite structure of SrIrO3 (P4/mmm, a = 3.9362(9) Å, c = 7.880(3) Å) synthesized at 6 GPa and 1400 °C, employing the ambient pressure monoclinic SrIrO3 with distorted 6H structure as a precursor. The crystal structure of tetragonal SrIrO3 was evaluated on the basis of single-crystal and powder X-ray diffraction. A cubic indexing was observed, which was attributed to overlooked superlattice reflections. Weak fractional peaks in the H and K dimensions suggest possible structure modulation by oxygen defects. Magnetization study reveals weak paramagnetic behavior down to 2 K, indicative of the interplay between spin-orbit coupling, electron correlations, and the crystal electric field. Additionally, measurements of electrical resistivity display metallic behavior with an upturn at about 54 K, which is ascribed to weak electron localization and possible structural defects.

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Conflict of interest statement

The authors declare no competing financial interest.

Figures

Figure 1
Figure 1
Powder XRD pattern and Rietveld refinement of (a) ambient pressure mC-SrIrO3 and (b) high-pressure tP-SrIrO3 synthesized at 6 GPa and 1400 °C. Bragg peak positions of each phase are represented by vertical tick marks. The crystal structures are also shown. Sr, green; Ir, blue; O, red.
Figure 2
Figure 2
Zoom-in powder XRD pattern of the recovered product and Rietveld refinement using tP-SrIrO3 and cP-SrIrO3 models. Bragg peak positions of each phase are represented by vertical tick marks. The crystal structures are also shown. Sr, green; Ir, blue; O, red. Stars indicate diffraction peaks for which the cP-SrIrO3 model failed to account in comparison to tP-SrIrO3.
Figure 3
Figure 3
Regenerated reciprocal lattice planes, (HK-1), (HK-1.5), and (HK-2), obtained from data reduction of our synchrotron single-crystal XRD using cubic symmetry and the unit cell of cP-SrIrO3.
Figure 4
Figure 4
Crystal structure and lattice parameter comparison of cP-SrIrO3, tP-SrIrO3, and oP-SrIrO3. Sr, green; Ir, blue; O, red.
Figure 5
Figure 5
Magnetization of tetragonal SrIrO3 synthesized under high pressure. (a) Magnetic susceptibility measured under ZFC mode at 1000 Oe. Inset, ZFC data fitted by the Curie–Weiss model. (b) Field-dependent magnetization at 1.8, 10, 100, and 300 K.
Figure 6
Figure 6
Temperature-dependent electrical resistivity of tetragonal SrIrO3 at μ0H = 0 T. An upturn was observed at ∼54 K.
See this image and copyright information in PMC

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