Exchange interaction mediated ferroelectricity in multiferroic MnTiO{sub 3} with anisotropic orbital hybridization and hole delocalization

Journal Article · Mon Feb 24 04:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4866462· OSTI ID:22293071

Chen, S. W.; Fu, S. W.; Lee, J. M.; Lee, J. F.; Pao, C. W.; Ishii, H.; Tsuei, K. D.; Hiraoka, N.; Lu, K. T.; Lin, P. A. ^[1]; Chen, D. P.; Dou, S. X.

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1. Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

We present the orbital structure of MnTiO{sub 3} 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.

• OSTI ID: 22293071
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 8 Vol. 104; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANISOTROPY
BINDING ENERGY
CHARGE DISTRIBUTION
ELECTRONIC STRUCTURE
EMISSION SPECTRA
EXCHANGE INTERACTIONS
FERROELECTRIC MATERIALS
HOLES
HYBRIDIZATION
MANGANESE
MANGANESE COMPOUNDS
OXYGEN
POLARIZATION
SPIN
TITANATES
X RADIATION
X-RAY SPECTRA