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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeNiAsO by Materials Project

CeNiAsO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ce–As bond lengths are 3.24 Å. All Ce–O bond lengths are 2.35 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.33 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ni2+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Odd-Parity Magnetism Driven by Antiferromagnetic Exchange

Realizing odd-parity, time-reversal-preserving, nonrelativistic spin splitting is a central goal for spintronics applications. We propose a group-theory-based microscopic framework to induce odd-parity spin splitting from coplanar antiferromagnetic (AFM) states without spin-orbit coupling (SOC). We develop phenomenological models for 421 conventional period-doubling AFM systems in nonsymmorphic space groups and construct minimal microscopic models for 119 of these. We find that these AFM states can attain three possible competing ground states. These ground states all break symmetries in addition to those broken by the usual AFM order. Specifically, they give rise to either odd-parity spin-splitting, nematic order, or scalar odd-parity order related to multiferroicity. Our microscopic theories reveal that the odd-parity spin-splitting energy scale is generically large and further reveal that the scalar odd-parity order gives a nonzero Berry curvature dipole without SOC. We identify 67 materials in the Magndata database for which our theory applies. We provide density-functional theory (DFT) calculations on Fe-based materials that reveal an ℎ-wave spin splitting consistent with our symmetry arguments and apply our microscopic model to determine the nonrelativistic Edelstein response for CeNiAsO.

Antiferromagnets↗