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DOE OSTI2020

Materials Data on LaFeO3 by Materials Project

LaFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. La3+ is bonded to six O2- atoms to form corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are four shorter (2.41 Å) and two longer (2.49 Å) La–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a trigonal planar geometry to three O2- atoms. All Fe–O bond lengths are 1.85 Å. In the second Fe3+ site, Fe3+ is bonded in a trigonal planar geometry to three O2- atoms. All Fe–O bond lengths are 1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent La3+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent La3+ and one Fe3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent La3+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent La3+ and one Fe3+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaFeO3 by Materials Project

LaFeO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.39 Å) and six longer (2.82 Å) La–O bond lengths. Fe3+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Fe–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaFeO3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaFeO3 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2026

Magnon confinement in epitaxial antiferromagnetic oxide heterostructures.

Magnons, the quanta of spin waves, have been extensively studied in a range of materials for spintronics, particularly for non-volatile logic-in-memory devices. Controlling magnons in conventional antiferromagnets and harnessing them in practical applications, however, remains a challenge. Here, we demonstrate highly efficient magnon transport in a LaFeO3/ BiFeO3/ LaFeO3 all-antiferromagnetic system, which can be controlled electrically, making it highly desirable for energy-efficient computation. Leveraging spin-orbit-driven spin-charge transduction, we demonstrate that this material architecture permits magnon confinement in ultrathin antiferromagnets, enhancing the output voltage generated by magnon transport by several orders of magnitude, which provides a pathway to enable magnetoelectric memory and logic functionalities. Additionally, the non-volatility of output voltage enables ultralowpower logic-in-memory processing, where magnonic devices can be efficiently reconfigured via electrically controlled magnon spin currents within magnetoelectric channels.

Husain, Sajid↗

DOE OSTI2026

Electrical Switching and Imaging of Antiferromagnetic Spins in Perovskite Epitaxial Thin Films

Electrical control of antiferromagnets is essential for the field of antiferromagnetic spintronics that promises ultrafast speed and terahertz dynamics. However, the large family of complex oxide antiferromagnets such as perovskites have been largely unexplored. Here, we demonstrate electrical switching and detection of Néel vector in LaFeO 3 epitaxial thin films with an epitaxy-enabled biaxial anisotropy, of which the switching behavior is understood by comparing to magnetic field controlled spin Hall magnetoresistance measurements. The electrical switching is corroborated by imaging of antiferromagnetic domains using X-ray Magnetic Linear Dichroism Photoemission Electron Microscopy. Electrical switching of 3-nm and 10-nm LaFeO 3 films was achieved over a wide temperature range of 25 to 300 K. This work offers an attractive platform for exploration of antiferromagnetic spintronics and other emerging phenomena such as potential insulating altermagnetism.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Epitaxial and Strong Support Interactions between Pt and LaFeO 3 Films Stabilize Pt Dispersion

The ability to stabilize very small Pt crystallites in supported-metal catalysts following harsh treatments is an important industrial problem. Herein, we demonstrate that Pt particles can be maintained in the 1- to 2-nm range following multiple oxidation and reduction cycles at 1073 K when the particles are supported on 0.5-nm LaFeO 3 films that have been deposited onto MgAl 2 O 4 using atomic layer deposition (ALD). Characterization by Scanning Transmission Electron Microscopy (STEM) suggest that, when the catalyst is oxidized at 1073 K, the Pt crystallites are oriented with respect to the underlying LaFeO 3 . X-Ray Absorption Spectroscopy (XAS) also shows evidence for changes in the Pt environment. CO-oxidation rates for the reduced catalyst remain unchanged after five redox cycles at 1073 K. Epitaxial growth of Pt clusters and the consequent strong metal-support interaction between Pt and LaFeO 3 are indicated to be prime reasons for the enhanced catalytic performances.

36 MATERIALS SCIENCE↗