Magnetic ground state of the multiferroic hexagonal LuFe O3

Pittala Suresh, K. Vijaya Laxmi, A. K. Bera, S. M. Yusuf, Bheema Lingam Chittari, Jeil Jung, P. S. Anil Kumar

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The structural, electric, and magnetic properties of bulk hexagonal LuFeO3 are investigated. Single phase hexagonal LuFeO3 has been successfully stabilized in the bulk form without any doping by sol-gel method. The hexagonal crystal structure with P63cm space group has been confirmed by x-ray-diffraction, neutron-diffraction, and Raman spectroscopy study at room temperature. Neutron diffraction confirms the hexagonal phase of LuFeO3 persists down to 6 K. Further, the x-ray photoelectron spectroscopy established the 3+ oxidation state of Fe ions. The temperature-dependent magnetic dc susceptibility, specific heat, and neutron-diffraction studies confirm an antiferromagnetic ordering below the Néel temperature (TN)∼130K. Analysis of magnetic neutron-diffraction patterns reveals an in-plane (ab-plane) 120 antiferromagnetic structure, characterized by a propagation vector k=(000) with an ordered moment of 2.84μB/Fe3+ at 6 K. The 120 antifferomagnetic ordering is further confirmed by spin-orbit coupling density functional theory calculations. The on-site coulomb interaction (U) and Hund's parameter (JH) on Fe atoms reproduced the neutron-diffraction Γ1 spin pattern among the Fe atoms. P-E loop measurements at room temperature confirm an intrinsic ferroelectricity of the sample with remnant polarization Pr∼0.18μC/cm2. A clear anomaly in the dielectric data is observed at ∼TN revealing the presence of magnetoelectric coupling. A change in the lattice constants at TN has also been found, indicating the presence of a strong magnetoelastic coupling. Thus a coupling between lattice, electric, and magnetic degrees of freedom is established in bulk hexagonal LuFeO3.

Original languageEnglish
Article number184419
JournalPhysical Review B
Issue number18
StatePublished - 15 May 2018


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