Orbital ordering in La0.5Sr1.5MnO4 studied by soft X-ray linear dichroism.
Orbital ordering in La0.5Sr1.5MnO4 studied by soft X-ray linear dichroism.
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DOI：
10.1103/physrevlett.92.087202
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发表时间：
2003-12
影响因子：
8.6
通讯作者：
D. J. Huang;W. B. Wu;G. Guo;H.J. Lin;T. Hou;C. F. Chang;C. Chen;A. Fujimori;T. Kimura
中科院分区：
文献类型：
--
作者：
D. J. Huang;W. B. Wu;G. Guo;H.J. Lin;T. Hou;C. F. Chang;C. Chen;A. Fujimori;T. Kimura
我们发现，La_（0.5）Sr_（1.5）MnO_4的e（g）态的3x（2）-r（2）/3 y（2）-r（2）型轨道有序的传统模型与Mn的2 p边X射线吸收的线性二向色性测量不一致，而这些e（g）态主要表现为x（2）-z（2）/y（2）-z（2）的交叉型轨道有序。LDA+U能带结构计算表明，这种交叉型轨道有序的反铁磁结构，Jahn-Teller畸变，和现场库仑相互作用的综合效果的结果。
We found that the conventional model of orbital-ordering of 3x(2)-r(2)/3y(2)-r(2) type in the e(g) states of La0.5Sr1.5MnO4 is incompatible with measurements of linear dichroism in the Mn 2p-edge x-ray absorption, whereas these e(g) states exhibit predominantly cross-type orbital ordering of x(2)-z(2)/y(2)-z(2). LDA+U band-structure calculations reveal that such a cross-type orbital-ordering results from a combined effect of antiferromagnetic structure, Jahn-Teller distortion, and on-site Coulomb interactions.