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14 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.00 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Ru–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.06 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. All Ru–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 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 RuO6 octahedra. All Sr–O bond lengths are 2.82 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.99 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.57–3.11 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–22°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted edge and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two RuO2 sheets oriented in the (0, 0, 1) direction and two SrO sheets oriented in the (0, 0, 1) direction. In each RuO2 sheet, Ru4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ru–O bond lengths are 1.84 Å. O2- is bonded in a linear geometry to two equivalent Ru4+ atoms. In each SrO sheet, Sr2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.62 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two RuO2 sheets oriented in the (0, 0, 1) direction and two SrO sheets oriented in the (0, 0, 1) direction. In each RuO2 sheet, Ru4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ru–O bond length. O2- is bonded in a linear geometry to two equivalent Ru4+ atoms. In each SrO sheet, Sr2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.61 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.59 Å. Ru4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two shorter (1.95 Å) and four longer (2.08 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OSr3Ru2 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic domain engineering in SrRuO3 thin films

Abstract Magnetic domain engineering in ferromagnetic thin films is a very important route toward the rational design of spintronics and memory devices. Although the magnetic domain formation has been extensively studied, artificial control of magnetic domain remains challenging. Here, we present the control of magnetic domain formation in paradigmatic SrRuO 3 /SrTiO 3 heterostructures via structural domain engineering. The formation of structural twin domains in SrRuO 3 films can be well controlled by breaking the SrTiO 3 substrate symmetry through engineering miscut direction. The combination of x-ray diffraction analysis of structural twin domains and magnetic imaging of reversal process demonstrates a one-to-one correspondence between structural domains and magnetic domains, which results in multi-step magnetization switching and anomalous Hall effect in films with twin domains. Our work sheds light on the control of the magnetic domain formation via structural domain engineering, which will pave a path toward desired properties and devices applications.

Materials Science↗
DOE OSTI2022

The exceedingly strong two-dimensional ferromagnetism in bi-atomic layer SrRuO 3 with a critical conduction transition

In recent years, few-layer or even monolayer ferromagnetic materials have drawn a great deal of attention due to the promising integration of two-dimensional (2D) magnets into next-generation spintronic devices. The SrRuO 3 monolayer is a rare example of stable 2D magnetism under ambient conditions, but only weak ferromagnetism or antiferromagnetism has been found. The bi-atomic layer SrRuO3 as another environmentally inert 2D magnetic system has been paid less attention heretofore. Here we study both the bi-atomic layer and monolayer SrRuO 3 in (SrRuO 3 ) n /(SrTiO 3 ) m (n = 1, 2) superlattices in which the SrTiO 3 serves as a non-magnetic and insulating space layer. Although the monolayer exhibits arguably weak ferromagnetism, we find that the bi-atomic layer exhibits exceedingly strong ferromagnetism with a T c of 125 K and a saturation magnetization of 1.2 μ B /Ru, demonstrated by both superconducting quantum interference device (SQUID) magnetometry and element-specific X-ray circular dichroism. Moreover, in the bi-atomic layer SrRuO 3 , we demonstrate that random fluctuations and orbital reconstructions inevitably occurring in the 2D limit are critical to the electrical transport, but are much less critical to the ferromagnetism. Our study demonstrates that the bi-atomic layer SrRuO 3 is an exceedingly strong 2D ferromagnetic oxide which has great potentials for applications of ultracompact spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Detection of the Chiral Spin Structure in Ferromagnetic SrRuO 3 Thin Film

SrRuO3 (SRO) thin films and their heterostructure have brought much attention because of the recently demonstrated fascinating properties, such as topological Hall effect and skyrmions. Critical to the understanding of those SRO properties is the study of the spin configuration. Here, we conduct resonant soft x-ray scattering (RSXS) at the oxygen K-edge to investigate the spin configuration of a 4 unit-cell SRO film that was grown epitaxially on a single crystal SrTiO 3 . The RSXS signal under a magnetic field (~0.4 Tesla) clearly shows a magnetic dichroism pattern around the specular reflection. Model calculations on the RSXS signal demonstrate that the magnetic dichroism pattern originates from a Néel-type chiral spin structure in this SRO thin film. We believe that the observed spin structure of the SRO system is a critical piece of information for understanding its intriguing magnetic and transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Surface termination effect of $\mathrm{SrTiO_3}$ substrate on ultrathin $\mathrm{SrRuO_3}$

A uniform 1-unit-cell-high step on the SrTiO 3 (STO) substrate is a prerequisite for growing high-quality epitaxial oxide heterostructures. However, it is inevitable that defects induced by mixed substrate-surface termination exist at the interface, significantly impacting the properties of ultrathin films. Here we microscopically identify the origin for the lateral inhomogeneity in the growth of ultrathin SrRuO3 films due to the step effects of SrTiO 3 (001). By using atomic-resolved scanning transmission electron microscopy, we observe two distinct types of step propagation along the [011] and [$0\bar{1}1$] crystallographic direction in SrTiO 3 -SrRuO 3 heterostructures, respectively. In particular, the type-II [$0\bar{1}1$] step results in lateral discontinuity of monolayer SrRuO 3 and originates from the SrO-terminated regions along the TiO 2 -terminated step edge. Such an induced lateral discontinuity should be responsible for the distinct electronic and magnetic properties of monolayer SrRuO 3 . Our findings underscore the critical importance of using single-termination STO substrate to achieve high-quality termination-selective films and to unveil the intrinsic properties of epitaxial films in the atomic limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Reversal of Anomalous Hall Effect and Octahedral Tilting in SrRuO 3 Thin Films via Hydrogen Spillover

Abstract The perovskite SrRuO 3 (SRO) is a strongly correlated oxide whose physical and structural properties are strongly intertwined. Notably, SRO is an itinerant ferromagnet that exhibits a large anomalous Hall effect (AHE) whose sign can be readily modified. Here, a hydrogen spillover method is used to tailor the properties of SRO thin films via hydrogen incorporation. It is found that the magnetization and Curie temperature of the films are strongly reduced and, at the same time, the structure evolves from an orthorhombic to a tetragonal phase as the hydrogen content is increased up to ≈0.9 H per SRO formula unit. The structural phase transition is shown, via in situ crystal truncation rod measurements, to be related to tilting of the RuO 6 octahedral units. The significant changes observed in magnetization are shown, via density functional theory (DFT), to be a consequence of shifts in the Fermi level. The reported findings provide new insights into the physical properties of SRO via tailoring its lattice symmetry and emergent physical phenomena via the hydrogen spillover technique.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ferroelectric Switching in Hybrid Molecular-Beam-Epitaxy-Grown BaTiO 3 Films

Molecular beam epitaxy (MBE) is a promising synthesis technique for both heterostructure growth and epitaxial integration of ferroelectric BaTiO 3 . However, direct measurement of the remnant polarization (P r ) has not been previously reported in MBE-grown BaTiO 3 films. We report the in situ growth of an all-epitaxial SrRuO 3 /BaTiO 3 /SrRuO 3 heterostructure on Nb-doped SrTiO 3 (001) substrates by hybrid MBE using metal–organic precursors. This capacitor structure consisting of 16 nm SrRuO 3 /40 nm BaTiO 3 /16 nm SrRuO 3 shows hysteretic polarization–electric field (P–E) curves with P r ∼ 15 μC cm –2 at frequencies ranging from 500 Hz to 20 kHz, after isolating the intrinsic ferroelectric response from non-ferroelectric contributions using the Positive-Up-Negative-Down (PUND) method. We hypothesize that the asymmetry in switching behavior and current leakage has origins in structural defects. Furthermore, this work opens the door to defect-engineered ferroelectric BaTiO 3 -based heterostructures grown by hybrid MBE for future electronic, photonic and spintronic applications.

SrRuO3 electrode↗