论文标题
莫特绝缘铁的局部结构la $ _ {2} $ o $ $ _ {2} $ fe $ _ {2} $ o $ $ m $ m $ $ m $ _ {2} $（$ m $ = s，se）
Local Structure of Mott Insulating Iron Oxychalcogenides La$_{2}$O$_{2}$Fe$_{2}$O$M$$_{2}$ ($M$ = S, Se)
论文作者
论文摘要
我们描述了使用配对分布功能（PDF）分析，应用于总散射数据。我们的中子粉末衍射结果表明，$ M $ = S，SE在低和室温下具有相似的核结构。通过研究原子位置的偏差和正晶形成程度来研究局部晶体结构。对总散射数据的分析表明，Fe $ _2 $ o平面的屈曲在100 k以下发生。屈曲可能随着八面体高度的变化而同时发生。此外，在典型的1-2 nm范围内，我们观察到了短距离骨状结构，暗示了这两种材料中的nematic波动。
We describe the local structural properties of the iron oxychalcogenides, La$_2$O$_2$Fe$_2$O$M_2$ ($M$ = S, Se), by using pair distribution function (PDF) analysis applied to total scattering data. Our results of neutron powder diffraction show that $M$ = S and Se possess similar nuclear structure at low and room temperatures. The local crystal structures were studied by investigating deviations in atomic positions and the extent of the formation of orthorhombicity. Analysis of the total scattering data suggests that buckling of the Fe$_2$O plane occurs below 100 K. The buckling may occur concomitantly with a change in octahedral height. Furthermore, within a typical range of 1-2 nm, we observed short-range orthorhombic-like structure suggestive of nematic fluctuations in both of these materials.
