標題: | Intra- and intersite electronic excitations in multiferroic TbMnO(3) probed by resonant inelastic x-ray scattering |
作者: | Chen, J. M. Lee, J. M. Huang, S. W. Lu, K. T. Jeng, H. T. Chen, C. K. Haw, S. C. Chou, T. L. Chen, S. A. Hiraoka, N. Ishii, H. Tsuei, K. D. Yang, T. J. 電子物理學系 Department of Electrophysics |
公開日期: | 27-九月-2010 |
摘要: | Mn 3d valence states and elementary electronic excitations in single-crystalline TbMnO(3) were probed with resonant inelastic x-ray scattering (RIXS) (or resonant x-ray emission spectroscopy, RXES), polarized x-ray absorption spectra and ab initio electron-structure calculations. Polarized Mn K-edge x-ray absorption spectra of TbMnO(3) crystals exhibit a significant anisotropy along three crystallographic directions, particularly for the white-line region. The 1s3p-RXES spectra obtained at the Mn K edge reveal that the quadrupolar Raman regime is restricted predominantly to below the pre-edge peak whereas the fluorescence regime starts from the first pre-edge peak of 1s -> 3d transitions, indicating a relatively delocalized character of unoccupied Mn 3d states. The additional K beta emission profile at energy loss similar to 62 eV is attributed to the off-site dipole Mn 1s-Mn' 3d and/or Mn 1s-Tb 5d transitions, originating from hybridization between Mn 4p states and neighboring Mn' 3d/Tb 5d states. The off-site dipole transition makes a considerable contribution to the pre-edge region of Mn K-edge spectrum. Three prominent RIXS features at similar to 2.9, 7, and 11 eV were observed. Based on GGA+U calculations, the 7 eV region corresponds to transitions from O 2p states to unoccupied minority Mn 3d states, whereas the 11 eV band is ascribed to transitions from the O 2p band to the empty Tb 5d band. The broad 2.9 eV band is attributed to the coexistence of on-site Mn 3d-Mn 3d and off-site Mn 3d-Mn' 3d transitions. |
URI: | http://dx.doi.org/10.1103/PhysRevB.82.094442 http://hdl.handle.net/11536/32173 |
ISSN: | 1098-0121 |
DOI: | 10.1103/PhysRevB.82.094442 |
期刊: | PHYSICAL REVIEW B |
Volume: | 82 |
Issue: | 9 |
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顯示於類別: | 期刊論文 |