Influence of interstitial and substitutional atoms on the crystal structure of La(FeSi)13
Influence of interstitial and substitutional atoms on the crystal structure of La(FeSi)13
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间隙原子和取代原子对La(FeSi)13晶体结构的影响
DOI：
10.1016/j.jallcom.2011.02.124
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发表时间：
2011-05
影响因子：
6.2
通讯作者：
L.Jia, J.R.Sun, J.Shen, B.Gao, T.Y.Zhao, H.W.Zhan
中科院分区：
文献类型：
--
作者：
L.Jia, J.R.Sun, J.Shen, B.Gao, T.Y.Zhao, H.W.Zhan
利用粉末x射线衍射光谱的Rietveld分析研究了间隙氢或碳对LaFe11.5Si1.5Hδ（δ= 0,1.2和2）和lafe11.5 si1.5 5cδ （δ= 0,0.1, 0.2, 0.3, 0.4和0.5）晶体结构的影响。并对铈取代镧的效果进行了比较研究。间隙原子的加入使化合物的晶格膨胀，而结构对称性不变。随着晶格的膨胀，Fe-Fe键呈现出相应的变化。5个Fe-Fe键中有4个有膨胀的趋势。当δ从0增加到2时，LaFe11.5Si1.5Hδ的簇间键延伸率最大，相对变化高达~ 2.53%。相反，最长的Fe-Fe键明显收缩（- 0.97%）。对Fe-Fe键的类似影响是由顺磁性到铁磁性的转变产生的，尽管键的变化较小。令人着迷的是，Ce含量的增加产生的效果与间隙含量的减少基本相同，尽管Ce占据的晶体位置与间隙原子占据的晶体位置不同。间隙原子对磁性行为的影响主要体现在Fe-Fe键的最短变化上。
The influence of interstitial hydrogen or carbon on the crystal structure of LaFe11.5Si1.5Hδ(δ=0, 1.2, and 2) and LaFe11.5Si1.5Cδ(δ=0, 0.1, 0.2, 0.3, 0.4, and 0.5) has been investigated based on the Rietveld analyses of powder X-ray diffraction spectra. Effects of Ce substitution for La are also studied for comparison. The incorporation of interstitial atoms causes a lattice expansion of the compounds while leaves the structural symmetry unchanged. Accompanying the lattice expansion, Fe–Fe bond exhibits a concomitant variation. Four of the five Fe–Fe bonds show a tendency to expansion. The largest elongation occurs for the shortest inter-cluster bond, and the relative change is as large as ∼2.53% as δ increases from 0 to 2 for LaFe11.5Si1.5Hδ. In contrast, the longest Fe–Fe bond shrinks considerably (−0.97%). Similarly effects on Fe–Fe bonds are produced by the paramagnetic to ferromagnetic transition, though the bond variation is smaller. Increase in Ce content produces, fascinatingly, essentially the same effects as the decrease of interstitial content, though Ce occupies different crystallographic sites than those occupied by interstitial atoms. Influence of interstitial atoms on magnetic behaviors may be dominated by the change of the shortest Fe–Fe bond.
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影响因子：
4
作者：
Wada, H;Tanabe, Y
通讯作者：
Tanabe, Y
影响因子：
2.7
作者：
O. Moze;W. Kockelmann;J. Liu;F. D. Boer;K. Buschow
通讯作者：
O. Moze;W. Kockelmann;J. Liu;F. D. Boer;K. Buschow
影响因子：
64.8
作者：
Tegus, O;Brück, E;de Boer, FR
通讯作者：
de Boer, FR
影响因子：
2.1
作者：
Fujita, A;Fukamichi, K
通讯作者：
Fukamichi, K
影响因子：
4
作者：
Fujieda, S;Fujita, A;Fukamichi, K
通讯作者：
Fukamichi, K