Electron density distribution in the pyroborateMn2B2O5studied by the maximum-entropy method

2005 ◽  
Vol 71 (22) ◽  
Author(s):  
F. S. Sarrat ◽  
R. B. Guimarães ◽  
M. A. Continentino ◽  
J. C. Fernandes ◽  
A. C. Doriguetto ◽  
...  
Keyword(s):  
Density Distribution ◽  
Maximum Entropy ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Maximum Entropy Method ◽  
Entropy Method

Electron Density Distribution Obtained from X-Ray Powder Data by the Maximum Entropy Method

1991 ◽  
Vol 35 (A) ◽  
pp. 77-83 ◽  
Author(s):  
Makoto Sakata ◽  
Masaki Takata ◽  
Yoshiki Kubota ◽  
Tatsuya Uno ◽  
Shintaro Kuhazawa ◽  
...  
Keyword(s):  
Density Distribution ◽  
Maximum Entropy ◽  
Electron Density ◽  
Diffraction Data ◽  
Electron Density Distribution ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Nuclear Density ◽  
X Ray ◽  
Distribution Maps

AbstractThe electron density distribution maps for CaF2 and TiO2 (rutile) were obtained from profile fitting of powder diffraction data by a Maximum Entropy Method (MEM) analysis. The resultant electron density maps show clearly the nature of the chemical bonding. In order to interpret the results, the nuclear density distribution was also obtained for rutile from powder neutron diffraction data. In the electron density map for rutile obtained by HEM analysis from the X-ray data, both apical and equatorial bonding can be seen. On the other hand, the nuclear density of rutile Is very simple and shows the thermal vibration of nuclei.

Electron Density Distribution of Wurtzite-Type Gallium Nitride by Maximum Entropy Method

1998 ◽  
Vol 67 (12) ◽  
pp. 4104-4109 ◽  
Author(s):  
Tomohiro Ikeda ◽  
Masaki Takata ◽  
Makoto Sakata ◽  
Janusz Waliszewski ◽  
Ludwik Dobrzynski ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Density Distribution ◽  
Maximum Entropy ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Maximum Entropy Method ◽  
Entropy Method
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