Ferroelectricity driven by Y d0-ness with rehybridization in YMnO3
Ferroelectricity driven by Y d0-ness with rehybridization in YMnO3
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DOI：
10.1103/physrevlett.98.217601
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发表时间：
2007-05-25
影响因子：
8.6
通讯作者：
Jo, T.
中科院分区：
文献类型：
--
作者：
Cho, D.-Y.;Kim, J.-Y.;Jo, T.
利用偏振相关X射线吸收谱（XAS）研究了六方多铁性YMnO_3的O K和Mn L-2，L-3边的电子结构.的光谱表现出强烈的偏振依赖性在两个边缘，反映各向异性Mn 3d轨道占领。O-K边谱表明，Y 4d态与O 2 p态发生了强烈的杂化，导致偏离中心的Y和O离子上的Born有效电荷出现了较大的反常.这些结果表明，重杂化的Yd（0）是铁电性的驱动力，为理解六方锰氧化物的多铁性提供了一种新的途径。
We investigated electronic structure of hexagonal multiferroic YMnO3 using the polarization dependent x-ray absorption spectroscopy (XAS) at O K and Mn L-2,L-3 edges. The spectra exhibit strong polarization dependence at both edges, reflecting anisotropic Mn 3d orbital occupation. Moreover, the O K edge spectra show that Y 4d states are strongly hybridized with O 2p ones, resulting in large anomalies in Born effective charges on off-centering Y and O ions. These results manifest that the Y d(0)-ness with rehybridization is the driving force for the ferroelectricity, and suggest a new approach to understand the multiferroicity in the hexagonal manganites.