The surface termination and the nominal valence states for hexagonal LuFeO3 thin films grown on Al2O3(0 0 0 1) substrates were characterized by angle resolved x-ray photoemission spectroscopy. The Lu 4f, Fe 2p and O 1s core level spectra indicate that both the surface termination and the nominal valence depend on surface preparation, but the stable surface terminates in a Fe-O layer. This is consistent with the results of density functional calculations which predict that the Fe-O termination of LuFeO3(0 0 0 1) surface is energetically favorable and stable over a broad range of temperatures and oxygen partial pressures when it is reconstructed to eliminate surface polarity.
To tune the magnetic properties of hexagonal ferrites, a family of magnetoelectric multiferroic materials, by atomic-scale structural engineering, we studied the effect of structural distortion on the magnetic ordering temperature (TN). Using the symmetry analysis, we show that unlike most antiferromagnetic rareearth transition-metal perovskites, a larger structural distortion leads to a higher TN in hexagonal ferrites and manganites, because the K3 structural distortion induces the three-dimensional magnetic ordering, which is forbidden in the undistorted structure by symmetry. We also revealed a near-linear relation between TN and the tolerance factor and a power-law relation between TN and the K3 distortion amplitude. Following the analysis, a record-high TN (185 K) among hexagonal ferrites was predicted in hexagonal ScFeO3 and experimentally verified in epitaxially stabilized films. These results add to the paradigm of spin-lattice coupling in antiferromagnetic oxides and suggests further tunability of hexagonal ferrites if more lattice distortion can be achieved.
The electronic structure for the conduction bands of both hexagonal and orthorhombic LuFeO3 thin films have been measured using x-ray absorption spectroscopy at oxygen K (O K) edge. Dramatic differences in both the spectral features and the linear dichroism are observed. These differences in the spectra can be explained using the differences in crystal field splitting of the metal (Fe and Lu) electronic states and the differences in O 2p-Fe 3d and O 2p-Lu 5d hybridizations. While the oxidation states have not changed, the spectra are sensitive to the changes in the local environments of the Fe(3+) and Lu(3+) sites in the hexagonal and orthorhombic structures. Using the crystal-field splitting and the hybridizations that are extracted from the measured electronic structures and the structural distortion information, we derived the occupancies of the spin minority states in Fe(3+), which are non-zero and uneven. The single ion anisotropy on Fe(3+) sites is found to originate from these uneven occupancies of the spin minority states via spin-orbit coupling in LuFeO3.
The magnetic interaction between rare-earth and Fe ions in hexagonal rare-earth ferrites (h-REFeO3), may amplify the weak ferromagnetic moment on Fe, making these materials more appealing as multiferroics. To elucidate the interaction strength between the rare-earth and Fe ions as well as the magnetic moment of the rare-earth ions, element specific magnetic characterization is needed. Using X-ray magnetic circular dichroism, we have studied the ferrimagnetism in h-YbFeO3 by measuring the magnetization of Fe and Yb separately. The results directly show anti-alignment of magnetization of Yb and Fe ions in h-YbFeO3 at low temperature, with an exchange field on Yb of about 17 kOe. The magnetic moment of Yb is about 1.6 µB at low-temperature, significantly reduced compared with the 4.5 µB moment of a free Yb 3+ . In addition, the saturation magnetization of Fe in h-YbFeO3 has a sizable enhancement compared with that in h-LuFeO3. These findings directly demonstrate that ferrimagnetic order exists in h-YbFeO3; they also account for the enhancement of magnetization and the reduction of coercivity in h-YbFeO3 compared with those in hLuFeO3 at low temperature, suggesting an important role for the rare-earth ions in tuning the multiferroic properties of h-REFeO3.2
The structural transition at about 1000 {\deg}C, from the hexagonal to the orthorhombic phase of LuFeO3, has been investigated in thin films of LuFeO3. Separation of the two structural phases of LuFeO3 occurs on a length scale of micrometer, as visualized in real space using X-ray photoemission electron microscopy (X-PEEM). The results are consistent with X-ray diffraction and atomic force microscopy obtained from LuFeO3 thin films undergoing the irreversible structural transition from the hexagonal to the orthorhombic phase of LuFeO3, at elevated temperatures. The sharp phase boundaries between the structural phases are observed to align with the crystal planes of the hexagonal LuFeO3 phase. The coexistence of different structural domains indicates that the irreversible structural transition, from the hexagonal to the orthorhombic phase in LuFeO3, is a first order transition, for epitaxial hexagonal LuFeO3 films grown on Al2O3
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