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

Journal Article


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Abstract


  • 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.

Authors


  •   Chen, ShiWei (external author)
  •   Lin, Paoan (external author)
  •   Jeng, Horngtay (external author)
  •   Fu, S W. (external author)
  •   Lee, Jennmin (external author)
  •   Lee, Jyhfu (external author)
  •   Pao, Chihwen (external author)
  •   Ishii, Hirofumi (external author)
  •   Tsuei, Kuding (external author)
  •   Hiraoka, Nozomu (external author)
  •   Chen, Dapeng (external author)
  •   Dou, Shi Xue
  •   Wang, Xiaolin
  •   Lu, Kueihtzu (external author)
  •   Chen, Jinming (external author)

Publication Date


  • 2014

Citation


  • 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., 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.

Scopus Eid


  • 2-s2.0-84896742092

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=2025&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/1024

Has Global Citation Frequency


Start Page


  • 082104-1

End Page


  • 082104-5

Volume


  • 104

Issue


  • 8

Place Of Publication


  • United States

Abstract


  • 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.

Authors


  •   Chen, ShiWei (external author)
  •   Lin, Paoan (external author)
  •   Jeng, Horngtay (external author)
  •   Fu, S W. (external author)
  •   Lee, Jennmin (external author)
  •   Lee, Jyhfu (external author)
  •   Pao, Chihwen (external author)
  •   Ishii, Hirofumi (external author)
  •   Tsuei, Kuding (external author)
  •   Hiraoka, Nozomu (external author)
  •   Chen, Dapeng (external author)
  •   Dou, Shi Xue
  •   Wang, Xiaolin
  •   Lu, Kueihtzu (external author)
  •   Chen, Jinming (external author)

Publication Date


  • 2014

Citation


  • 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., 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.

Scopus Eid


  • 2-s2.0-84896742092

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=2025&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/1024

Has Global Citation Frequency


Start Page


  • 082104-1

End Page


  • 082104-5

Volume


  • 104

Issue


  • 8

Place Of Publication


  • United States