TY - JOUR
T1 - The Electron Density Distribution in Be Metal Obtained from Synchrotron-Radiation Powder Data by the Maximum-Entropy Method
AU - Takata, Masaki
AU - Kubota, Yoshiki
AU - Sakata, Makoto
N1 - Funding Information:
The authors thank Prof. N. Sakabe and Drs. A. Nakagawa and N. Watanabe of Photon Factory for their kind help and suggestions in data collection. We thank Mr. S. Kumazawa for improvement of the computer program of the MEM. This work was supported by Grant-in-Aid for Research from the Ministry of Education, Science and Culture and has been performed under the approval of the Photon Factory Program Advisory Committee (Proposal No. 91-244).
PY - 1993/2/1
Y1 - 1993/2/1
N2 - 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 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.
AB - 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 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.
KW - Be metal
KW - Electron density distribution
KW - HCP structure
KW - Maximum entropy method
KW - X-ray powder diffraction
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U2 - 10.1515/zna-1993-1-219
DO - 10.1515/zna-1993-1-219
M3 - Article
AN - SCOPUS:21144467207
SN - 0932-0784
VL - 48
SP - 75
EP - 80
JO - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
JF - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
IS - 1-2
ER -