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Antiferromagnetic order breaks inversion symmetry in metallic double perovskite, Pb2NiOsO6

Feng, Hai and Kang, Chang-Jong and Manuel, Pascal and Orlandi, Fabio and Su, Yu and Chen, Jie and Tsujimoto, Yoshihiro and Hadermann, Joke and Kotliar, Gabriel and Yamaura, Kazunari and McCabe, Emma and Greenblatt, Martha (2021) 'Antiferromagnetic order breaks inversion symmetry in metallic double perovskite, Pb2NiOsO6.', Chemistry of materials., 33 (11). pp. 4188-4195.


A Polycrystalline sample of Pb2NiOsO6 was synthesized by high-pressure (6 GPa) and high-temperature (1575 K) conditions. Pb2NiOsO6 crystallizes in a monoclinic double perovskite structure with a centrosymmetric space group P21/n at room temperature. Pb2NiOsO6 is metallic down to 2 K and shows a single antiferromagnetic (AFM) transition at TN = 58 K. Pb2NiOsO6 is a new example of a metallic and antiferromagnetic oxide with three-dimensional connectivity. Neutron powder diffraction and first-principle calculation studies indicate that both Ni and Os moments are ordered below TN and the antiferromagnetic magnetic order breaks inversion symmetry. This loss of inversion symmetry driven by antiferromagnetic order is unusual in metallic systems and the 3d-5d double-perovskite oxides represent a new class of noncentrosymmetric AFM metallic oxides.

Item Type:Article
Full text:Publisher-imposed embargo until 26 May 2022.
(AM) Accepted Manuscript
File format - PDF
Publisher Web site:
Publisher statement:This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Chemistry of Materials, copyright © American Chemical Society after peer review. To access the final edited and published work see
Date accepted:07 May 2021
Date deposited:10 May 2021
Date of first online publication:26 May 2021
Date first made open access:26 May 2022

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