Effect of local coordination of Mn on Mn-L2,3 edge electron energy loss spectrum
Effect of local coordination of Mn on Mn-L2,3 edge electron energy loss spectrum
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DOI：
10.1063/1.4817425
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发表时间：
2013-08
影响因子：
3.2
通讯作者：
Shuji Nishida;S. Kobayashi;A. Kumamoto;H. Ikeno;T. Mizoguchi;I. Tanaka;Y. Ikuhara;Takahisa Yamamoto
中科院分区：
文献类型：
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作者：
Shuji Nishida;S. Kobayashi;A. Kumamoto;H. Ikeno;T. Mizoguchi;I. Tanaka;Y. Ikuhara;Takahisa Yamamoto
从实验和理论上研究了钙钛矿锰氧化物中锰离子的局域配位环境对Mn-L2，3边电子能量损失(EEL)谱的影响。对不同的钙钛矿型锰氧化物，包括YMnO_3、LaMnO_3、BaMnO_3、SrMnO_3和CaMnO_3，观察到了不同价态和局域配位的Mn-L~(2，3)边鳗鱼光谱。实验表明，Mn的L3/L2比不仅受价态的影响，而且还受Mn离子的局域环境的影响。此外，与Mn3+化合物的MnL3/L2比相比，Mn4+化合物的MnL3/L2比对局域失真更为敏感。对Mn-L2，3边鳗鱼光谱的从头算多重态计算表明，局域配位对光谱特征的影响取决于Mn离子的局域电子结构。这些发现表明，通过实验和理论研究相结合的方法，可以解开Mn-L2，3边鳗鱼的价态和局域环境。
The effects of the local coordination environment of Mn ions in perovskite manganese oxides on the Mn-L2,3 edge electron energy loss (EEL) spectra was experimentally and theoretically investigated. The Mn-L2,3 edge EEL spectra were observed for various perovskite manganese oxides, including YMnO3, LaMnO3, BaMnO3, SrMnO3, and CaMnO3, in which the Mn ions have different valence states and local coordination. The experiment revealed that the Mn L3/L2 ratio is influenced not only by the valence state but also by the local environment of the Mn ions. Furthermore, compared to the Mn L3/L2 ratios of Mn3+ compounds, the Mn L3/L2 ratios of the Mn4+ compounds are found to be much more sensitive to local distortions. The ab-initio multiplet calculation of the Mn-L2,3 edge EEL spectra revealed that the effects of local coordination on the spectral features are dependent on the local electronic structures of the Mn ions. These findings indicate that the valence state as well as the local environments of the Mn ions can be unraveled by combining experimental and theoretical investigations of Mn-L2,3 edge EEL spectra.