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Coexisting magnetic structures and spin-reorientation in Er$_{0.5}$Dy$_{0.5}$FeO$_{3}$: Bulk magnetization, neutron scattering, specific heat, and \emph{Ab-initio} studies (2108.09975v2)

Published 23 Aug 2021 in cond-mat.str-el

Abstract: The complex magnetic structures, spin-reorientation and associated exchange interactions have been investigate in Er${0.5}$Dy${0.5}$FeO$3$ using bulk magnetization, neutron diffraction, specific heat measurements and density functional theory calculations. The Fe${3+}$ spins order as G-type antiferromagnet structure depicted by ${\Gamma}{4}$($G_{x}$,$A_{y}$,$F_{z}$) irreducible representation below 700K, similar to its end compounds. The bulk magnetization data indicate occurrence of the spin-reorientation and rare-earth magnetic ordering below $\sim$75 K and 10 K, respectively. The neutron diffraction studies confirm an "incomplete" ${\Gamma}{4}$${\rightarrow}$ ${\Gamma}{2}$($F_{x}$,$C_{y}$,$G_{z}$) spin-reorientation initiated $\leq$75 K. Although, the relative volume fraction of the two magnetic structures varies with decreasing temperature, both co-exist even at 1.5 K. At 8 K, Er${3+}$/Dy${3+}$ moments order as $c_{y}R$ arrangement develop, which gradually increases in intensity with decreasing temperature. At 2 K, magnetic structure associated with $c_{z}R$ arrangement of Er${3+}$/Dy${3+}$ moments also appears. At 1.5 K the magnetic structure of Fe${3+}$ spins is represented by a combination of ${\Gamma}{2}$+${\Gamma}{4}$+${\Gamma}{1}$, while the rare earth moments coexists as $c{y}R$ and $c_{z}R$ corresponding to ${\Gamma}{2}$ and ${\Gamma}{1}$ representation, respectively. The observed Schottky anomaly at 2.5 K suggests that the "rare-earth ordering" is induced by polarization due to Fe${3+}$ spins. The Er${3+}$-Fe${3+}$ and Er${3+}$-Dy${3+}$ exchange interactions, obtained from first principle calculations, primarily cause the complicated spin-reorientation and $c_{y}R$ rare-earth ordering, respectively, while the dipolar interactions between rare-earth moments, result in the $c_{z}R$ type rare-earth ordering at 2 K.

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