The Electron Density Distribution in Be Metal Obtained from Synchrotron-Radiation Powder Data by the Maximum-Entropy Method
The Electron Density Distribution in Be Metal Obtained from Synchrotron-Radiation Powder Data by the Maximum-Entropy Method
复制标题
最大熵法从同步辐射粉末数据获得Be金属中的电子密度分布
DOI：
10.1515/zna-1993-1-219
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发表时间：
1993
期刊：
影响因子：
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通讯作者：
M. Sakata
中科院分区：
文献类型：
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作者：
M. Takata;Y. Kubota;M. Sakata
摘要本文用最大熵方法得到了Be金属中的电子密度分布，并通过对MEM图的研究，探讨了Be金属中的成键性质。为了避免衍射效应，用同步辐射作为入射X射线，成像板作为探测器，用一种新的粉末衍射实验测量了19个布拉格反射。实验在Photon Factory BL6A2进行。尽管在MEM分析中使用的反射次数有限，但准确可靠地获得了Be的电子密度分布。计算了未测量反射的结构因子，并与Larsen和汉森[Acta Cryst. B40，169（1984）]观察到的值进行了比较。协议非常好。此外，MEM图显示Be金属形成平行于基面的蜂窝状电子层。
Abstract The nature of the bonding in Be metal was studied by investigating the MEM map, which is the electron density distribution obtained by the Maximum-Entropy Method. In order to avoid extinc-tion effects, 19 Bragg reflections were measured by a new powder-diffraction experiment that utilizes Synchrotron Radiation as an incident X-ray and an Imaging Plate as detector. The experiment was carried out at the Photon Factory BL6A2. In spite of the limited number of reflections used in the MEM analysis, the electron density distribution of Be was obtained accurately and reliably. The structure factors for unmeasured reflections were calculated and compared with the values observed by Larsen and Hansen [Acta Cryst. B40, 169 (1984)]. The agreement is very good. Furthermore, the MEM map revealed that Be metal forms an electronic layer in the shape of a honeycomb that is parallel to the basal plane.
DOI：
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发表时间：
1984
期刊：
--
影响因子：
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作者：
高エネルギー物理学研究所
通讯作者：
高エネルギー物理学研究所