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.

Synthesis and Magnetic Properties of the Multiferroic [C(NH2)3]Cr(HCOO)3 Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller Distortions

Barone, Paolo;Stroppa, Alessandro;
2023

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.
2023
Istituto Superconduttori, materiali innovativi e dispositivi - SPIN - Sede Secondaria Roma
Istituto Superconduttori, materiali innovativi e dispositivi - SPIN - Sede Secondaria L'Aquila
Multiferroicity, magnetoelectric coupling
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/516913
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