Direct observation of structural changes near and at the charge-ordering temperature of ilvaite using high-flux neutron powder diffraction

Direct observation of structural changes near and at the charge-ordering temperature of ilvaite using high-flux neutron powder diffraction
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使用高通量中子粉末衍射直接观察钙钛矿电荷排序温度附近和该温度下的结构变化

DOI:
10.1039/c4tc00224e
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发表时间:
2014
期刊:
J. Mater. Chem. C
影响因子:
--
通讯作者:
Williams E
Williams E
中科院分区:
--
文献类型:
--
作者:
Williams E

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The detailed structural changes that occur during and following the formation of a long-range, charge-ordered state have been accurately and rapidly determined. The localisation of the electron in ilvaite, Ca(Fe,Mn)3Si2O8(OH), forming Fe2+ and Fe3+ from the delocalized 2× Fe2.5+, is directly apparent in bond valence sums derived from accurately determined Fe–O distances extracted from neutron powder diffraction data obtained for 40 temperatures around the charge ordering temperature in just a few hours. Subtle changes that occur in the structure and lattice parameters after the formation of the charge-ordered state are also apparent for the first time from this work.
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