Yananose, Kunihiro ORCID: https://orcid.org/0000-0003-2677-5624, Clark, Ewan R. ORCID: https://orcid.org/0000-0001-7287-2631, Saines, Paul J. ORCID: https://orcid.org/0000-0002-4207-2112, Barone, Paolo, Stroppa, Alessandro and Yu, Jaejun ORCID: https://orcid.org/0000-0003-0460-3565 (2023) Synthesis and magnetic properties of the multiferroic [C(NH 2 ) 3 ]Cr(HCOO) 3 metal–organic framework: the role of spin–orbit coupling and Jahn–Teller distortions. Inorganic Chemistry, 62 (42). pp. 17299-17309. ISSN 0020-1669 (Print), 1520-510X (Online) (doi:10.1021/acs.inorgchem.3c02557)

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Abstract

We report for the first time the synthesis of [C(NH2)3]Cr(HCOO)3 stabilizing Cr2+ in formate perovskite, which adopts a polar structure and orders magnetically below 8 K. We discuss in detail the magnetic properties and their coupling to the crystal structure based on first-principles calculations, symmetry, and model Hamiltonian analysis. We establish a general model for the orbital magnetic moment of [C(NH2)3]M(HCOO)3 (M = Cr, Cu) based on perturbation theory, revealing the key role of the Jahn–Teller distortions. We also analyze their spin and orbital textures in k-space, which show unique characteristics.

Item Type:	Article
Uncontrolled Keywords:	magnetism, magnetochemistry, perovskite
Subjects:	Q Science > Q Science (General) Q Science > QD Chemistry
Faculty / School / Research Centre / Research Group:	Faculty of Engineering & Science Faculty of Engineering & Science > School of Science (SCI)
Last Modified:	02 Apr 2026 13:54
URI:	https://gala.gre.ac.uk/id/eprint/52709

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