RESUMEN
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 (T_{N}) in these materials. Using the symmetry analysis, we show that unlike most antiferromagnetic rare-earth transition-metal perovskites, a larger structural distortion leads to a higher T_{N} in hexagonal ferrites and manganites, because the K_{3} 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 T_{N} and the tolerance factor and a power-law relation between T_{N} and the K_{3} distortion amplitude. Following the analysis, a record-high T_{N} (185 K) among hexagonal ferrites was predicted in hexagonal ScFeO_{3} 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.
RESUMEN
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.
RESUMEN
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.