LaFeAsO_{1-x} F_x的温度局域结构：键关联的探讨
Temperature Dependent Local Structure of LaFeAsO_{1-x}F_x: Probing the Bond Correlations
摘要：
用X射线吸收光谱研究了母体和掺杂LaFeAsO_（1-x）F_x（pnictide）化合物的局域结构。在掺杂体系中，Fe-As和Fe-Fe关联符合爱因斯坦模型，没有低温反常。对于Fe-As键，爱因斯坦温度是相同的掺杂（11%）和未掺杂的样品，但掺杂的样品被发现有一个较低水平的静态无序。对于Fe-Fe关联，掺杂提高了Fe-Fe原子关联的有效爱因斯坦温度。结果表明，在F掺杂系统的超导电性的开始可能与增强的磁关联。密度泛函计算的电荷密度揭示了相邻的As离子之间的强键合，但在Fe层的金属样行为。
英文摘要：
The local structure of the parent and doped LaFeAsO1-xFx (pnictide) compounds were studied by x-ray absorption spectroscopy. In the doped system, the Fe-As and Fe-Fe correlations are well modeled by an Einstein model with no low temperature anomalies. For the Fe-As bonds, the Einstein temperatures are identical for the doped (11%) and undoped samples, but the doped sample is found to have a lower level of static disorder. For the Fe-Fe correlation, doping enhances the effective Einstein temperature of Fe-Fe atom correlation. The results suggest that the onset of superconductivity in the F doped system may be related to enhanced magnetic correlations. Density functional calculations of the charge density reveal strong bonding between neighboring As ions but metal-like behavior in the Fe layers.
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