Publication Details

Chen, S. W., Lin, P. A., Jeng, H. T., Fu, S. W., Lee, J. M., Lee, J. F., Pao, C. W., Ishii, H., Tsuei, K. D., Hiraoka, N., Chen, D. P., Dou, S. X., Wang, X. L., Lu, K. T. & Chen, J. M. (2014). Exchange interaction mediated ferroelectricity in multiferroic MnTiO3 with anisotropic orbital hybridization and hole delocalization. Applied Physics Letters, 104 (8), 082104-1-082104-5.


We 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.

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