THE ELECTRON-DENSITY DISTRIBUTION IN BE METAL OBTAINED FROM SYNCHROTRON-RADIATION POWDER DATA BY THE MAXIMUM-ENTROPY METHOD

被引:23
作者
TAKATA, M
KUBOTA, Y
SAKATA, M
机构
[1] Department of Applied Physics, Nagoya University, Nagoya
来源
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1993年 / 48卷 / 1-2期
关键词
MAXIMUM ENTROPY METHOD; BE METAL; ELECTRON DENSITY DISTRIBUTION; X-RAY POWDER DIFFRACTION; HCP STRUCTURE;
D O I
10.1515/zna-1993-1-219
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 extinction 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 umneasured reflections were calculated and compared with the values observed by Larsen and Hansen [Acta Cryst. B 40, 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.
引用
收藏
页码:75 / 80
页数:6
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