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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrIrO3 by Materials Project

SrIrO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.88 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.03 Å. There are two inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ir–O bond lengths. In the second Ir4+ site, Ir4+ is bonded to six O2- atoms to form a mixture of corner and face-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Ir–O bond distances ranging from 2.00–2.09 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to four Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded to four Sr2+ and two equivalent Ir4+ atoms to form a mixture of distorted corner and face-sharing OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 3–62°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Ir4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sr2+ and two Ir4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrIrO3 by Materials Project

SrIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Sr–O bond lengths are 2.83 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ir4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrIrO3 by Materials Project

SrIrO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.85 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.71 Å. There are two inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Ir–O bond distances ranging from 2.01–2.03 Å. In the second Ir4+ site, Ir4+ is bonded to six O2- atoms to form a mixture of corner and face-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Ir–O bond distances ranging from 2.03–2.09 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ir4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ir4+ atoms. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Ir4+ atoms to form distorted corner-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sr2+ and two equivalent Ir4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Ir4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Extraordinary Magnetic Response of an Anisotropic 2D Antiferromagnet via Site Dilution

A prominent characteristic of 2D magnetic systems is the enhanced spin fluctuations, which reduce the ordering temperature. We report that a magnetic field of only 1000th of the Heisenberg superexchange interaction can induce a crossover, which for practical purposes is the effective ordering transition, at temperatures about 6 times the Néel transition in a site-diluted two-dimensional anisotropic quantum antiferromagnet. Such a strong magnetic response is enabled because the system directly enters the antiferromagnetically ordered state from the isotropic disordered state, skipping the intermediate anisotropic stage. The underlying mechanism is achieved on a pseudospin-half square lattice realized in the [(SrIrO3)1/(SrTiO3)2] superlattice thin film that is designed to linearly couple the staggered magnetization to external magnetic fields by virtue of the rotational symmetry-preserving Dzyaloshinskii–Moriya interaction. Furthermore, our model analysis shows that the skipping of the anisotropic regime despite finite anisotropy is due to the enhanced isotropic fluctuations under moderate dilution.

2D antiferromagnet↗
DOE OSTI2023

Escalated Phase Separation Driven Enhanced Magnetoresistance in Manganite/Iridate Epitaxial Heterostructures

Phase separation in manganites leads to unique magnetic and electronic properties. 50% Ca-doped LaMnO 3 (LCMO), at the boundary of ferromagnetic (FM) and antiferromagnetic (AFM) states in La 1-x Ca x MnO 3 (0 ≤ x ≤ 1), is an ideal system to study phase separation behavior. The investigation reveals the effect of a 5d-metal perovskite SrIrO 3 (SIO) on the phase separation, magnetic, and magnetoresistance (MR) properties of LCMO. Single-layer and bilayer LCMO films, both appear purely ferromagnetic along the in-plane (IP) magnetic field direction, but show the tendency of temperature-dependent ferromagnetic and antiferromagnetic or charge-ordered (CO) phase separation with the out-of-plane (OOP) applied field. The MR, and colossal magnetoresistance (CMR), observed in LCMO/SIO bilayers are two orders and an order of magnitude (in %) larger, respectively than that in the single-layer film. The coexistence of FM and AFM/CO phases is responsible for the CMR and MR enhancement in the LCMO/SIO bilayer, pointing toward the importance of the phase separation and competition of both the individual materials in enhancing their magnetic and electronic properties.

36 MATERIALS SCIENCE↗