Defect structure behaviour in metal halides
Defect structure behaviour in metal halides
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金属卤化物中的缺陷结构行为
DOI：
10.1002/pssc.200673798
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发表时间：
2007
期刊：
影响因子：
--
通讯作者：
Levy M
中科院分区：
文献类型：
--
作者：
Levy M
Defects in halide materials have been investigated using atomistic scale computer simulation. These defects are important in controlling a number of key materials properties. Rare‐earth halides (REX3with X= F, Cl, Br, I) are currently being considered as scintillator hosts. Here we begin by investigating the fluorides (REF3). These materials undergo an experimentally observed structural change as a function of RE cation radius. We have reproduced this structural variation with an atomistic model. In order to optimise scintillator properties, the intrinsic defect mechanisms need to be assessed as such defects act as performance limiting trap sites. The predictions made are interpreted as a function of the host cation radius in order to reveal structural trends. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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三氟化镧和三氟化铈的粉末中子衍射研究
DOI：
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发表时间：
1976
期刊：
影响因子：
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作者：
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通讯作者：
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DOI：
10.1109/nssmic.2004.1462374
发表时间：
2004-10
期刊：
IEEE Symposium Conference Record Nuclear Science 2004.
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影响因子：
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通讯作者：
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