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Enhanced Coercivity Driven by Spin Reorientation in CuCoFe2O5 High-Pressure Oxide
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DOI：10.1021/acs.chemmater.6c00764.png)
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Abstract
En 中文
We report a comprehensive study of the structural and magnetic properties of CuCoFe2O5, a CaFe3O5-type mixed-metal oxide obtained at 20 GPa and 1000 °C. Room-temperature single-crystal and powder diffraction measurements confirm the orthorhombic Cmcm framework, with Cu2+ occupying a distorted CuO4+2 trigonal prismatic site and Co2+/Fe3+ residing in edge- and corner-sharing octahedral environments. Bond valence and anisotropic displacement analyses reveal pronounced local distortions around Cu2+, consistent with Jahn–Teller activity. Magnetic measurements indicate two successive transitions: a high-temperature antiferromagnetic order at TN1 = 195 K and a low-temperature spin reorientation at TN2 = 77 K of structural origin, the latter accompanied by a strong bifurcation between field- and zero-field-cooled magnetization curves. Neutron diffraction and DFT+U calculations demonstrate that the magnetic structure comprises competing Fe–Fe, Fe–Co, and Co–Cu interactions, leading to a canted ferrimagnetic state at low temperature. Moderate magnetic frustration (f ≈ 3.6) and strong spin–orbit coupling of Co2+ stabilize large coercivity (∼6.7 T at 2 K). These results highlight the intricate interplay between structural distortions, cation disorder, and competing exchange pathways in determining the complex magnetic ground state of CuCoFe2O5.
Keywords:
Chemical structure
Crystal structure
Magnetic properties
Quantum mechanics
Thermodynamic properties
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