Exchange interaction mediated ferroelectricity in multiferroic MnTiO3 with anisotropic orbital hybridization and hole delocalization

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 hi...

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Bibliographic Details
Published in:Applied physics letters 2014-02, Vol.104 (8)
Main Authors: 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.
Format: Article
Language:English
Subjects:
Anisotropy
Applied physics
Charge distribution
Electronic structure
Emission spectra
Exchanging
Ferroelectricity
Hybridization
Skewed distributions
X ray absorption
X ray spectra
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Summary: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.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4866462