Electronic Structure and Crystal Structure of Multiferroic o-YMnO
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概要
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The dependence of the electronic structure and crystal structure of multiferroic YMnO<inf>3</inf>in an orthorhombic phase (o-YMnO<inf>3</inf>) on temperature up to 873 K was investigated on combining the measurements of synchrotron x-ray powder diffraction (SXRD) and high-resolution x-ray absorption spectra measured in the partial fluorescence yield. Based on SXRD refinement, the small equatorial bond distance (Mn--O2)<inf>s</inf>of o-YMnO<inf>3</inf>increases progressively, whereas the large equatorial bond distance (Mn--O2)<inf>l</inf>decreases with increasing temperature. The Mn--O--Mn angle of two adjacent MnO<inf>6</inf>octahedra increases monotonically with increasing temperature. Based on these SXRD results, the local Jahn--Teller (JT) distortion of Mn sites within MnO<inf>6</inf>octahedra of o-YMnO<inf>3</inf>became suppressed, and the adjacent JT-distorted MnO<inf>6</inf>octahedra became progressively symmetric with increasing temperature. The white-line profile of Mn K-edge spectra becomes more symmetric, originating from the suppression of the Jahn--Teller distortion of MnO<inf>6</inf>octahedra in o-YMnO<inf>3</inf>at higher temperature. The pre-edge peak of Mn K-edge absorption spectra of o-YMnO<inf>3</inf>increased in intensity and shifted to smaller energy at high temperatures, indicating a symmetric local structure of MnO<inf>6</inf>octahedra and an increased contribution of the off-site Mn 3d--Mn' 4p hybridization in o-YMnO<inf>3</inf>with increasing temperature. The experimental and calculated, using code FDMNES, Mn K-edge spectra of o-YMnO<inf>3</inf>with various temperatures agree satisfactorily. This work provides insight into the structural stability of metastable o-YMnO<inf>3</inf>under high temperature.
- 2013-12-15
著者
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CHEN Jin-Ming
National Synchrotron Radiation Research Center (NSRRC)
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Chen Shin-An
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Haw Shu-Chih
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Lee Jenn-Min
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Lu Kueih-Tzu
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Ishii Hirofumi
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Tsuei Ku-Ding
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Chou Fang-Cheng
Center of Condensed Matter Sciences, National Taiwan University, Taipei 10617, Taiwan, R.O.C.
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Hiraoka Nozumu
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, R.O.C.
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Lee Chih-Hao
Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan, R.O.C.
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