Exchange interaction mediated ferroelectricity in multiferroic MnTiO3 with anisotropic orbital hybridization and hole delocalizationAustralian Institute for Innovative Materials - Papers
AbstractWe present the orbital structure of MnTiO3 with polarization dependent x-ray absorption and resonant x-ray emission spectra accompanied with electronic structure calculations. The results clearly indicate a strongly anisotropic O 2p-Mn 3d orbital hybridization whereas the Mn 3d hole state shows a highly delocalized characteristic ascribed to the 3d-4p mixing. The extended Mn 4p orbital could enhance the exchange interaction between Mn (3d)-O (2p)-Mn (3d) leading to an asymmetric charge distribution in Mn-O bonds. The delocalized characteristic of Mn 3d holes is indispensable to the mechanism of spin-dependent-metal-ligand hybridization to explain magnetically induced ferroelectricity.
Additional Grant Numberhttp://purl.org/au-research/grants/ARC/DP0987190
Citation InformationShiWei Chen, Paoan Lin, Horngtay Jeng, S W Fu, et al.. "Exchange interaction mediated ferroelectricity in multiferroic MnTiO3 with anisotropic orbital hybridization and hole delocalization" (2014)
Available at: http://works.bepress.com/sxdou/588/