八面体
正交晶系
结构精修
结晶学
三角晶系
材料科学
物理
化学计量学
中子衍射
订单(交换)
相变
凝聚态物理
晶体结构
化学
物理化学
经济
财务
作者
Xiangyun Qiu,Thomas Proffen,J. F. Mitchell,Simon J. L. Billinge
标识
DOI:10.1103/physrevlett.94.177203
摘要
The local and intermediate structure of stoichiometric ${\mathrm{LaMnO}}_{3}$ has been studied in the pseudocubic and rhombohedral phases at high temperatures (300--1150 K). Neutron powder diffraction data were collected and a combined Rietveld and high real space resolution atomic pair distribution function analysis was carried out. The nature of the Jahn-Teller (JT) transition around 750 K is confirmed to be orbital order to disorder. In the high-temperature orthorhombic ($O$) and rhombohedral ($R$) phases, the ${\mathrm{MnO}}_{6}$ octahedra are still fully distorted locally. More importantly, the intermediate structure suggests the presence of local ordered clusters of diameter $\ensuremath{\sim}16\text{ }\AA{}$ ($\ensuremath{\sim}4$ ${\mathrm{MnO}}_{6}$ octahedra) implying strong nearest-neighbor JT antiferrodistortive coupling. These clusters persist well above the JT transition temperature even into the high-temperature $R$ phase.
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