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

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.
Authors:
; ; ; ; ; ; ; ; ;  [1] ;  [2] ;  [2] ;  [3] ; ; ;  [4]
  1. National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China)
  2. Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China)
  3. (China)
  4. Institute for Superconducting and Electronic Materials, Australian Institute of Innovative, Materials, University of Wollongong, North Wollongong, NSW 2500 (Australia)
Publication Date:
OSTI Identifier:
22293071
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 8; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 74 ATOMIC AND MOLECULAR PHYSICS; 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