Anharmonic thermal vibration of rutile (TiO2) determined from nuclear density distribution of maximum entropy method analysis

1993 ◽  
Vol 49 (s1) ◽  
pp. c34-c34
Author(s):  
S. Kumazawa ◽  
M. Takata ◽  
M. Sakata
Keyword(s):  
Density Distribution ◽  
Maximum Entropy ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Thermal Vibration ◽  
Nuclear Density ◽  
Rutile Tio2 ◽  
Method Analysis

Z-MEM, Maximum Entropy Method software for electron/nuclear density distribution in Z-Code

2018 ◽  
Vol 551 ◽  
pp. 472-475 ◽  
Author(s):  
Yoshihisa Ishikawa ◽  
Junrong Zhang ◽  
Ryoji Kiyanagi ◽  
Masao Yonemura ◽  
Takeshi Matsukawa ◽  
...  
Keyword(s):  
Density Distribution ◽  
Maximum Entropy ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Nuclear Density

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.

Crystal Structure and Nuclear Density Distribution of LiCo1/3Ni1/3Mn1/3O2 Analyzed by Rietveld/Maximum Entropy Method

2010 ◽  
Vol 93 (8) ◽  
pp. 2144-2146 ◽  
Author(s):  
Naoki Igawa ◽  
Tomitsugu Taguchi ◽  
Hiroshi Fukazawa ◽  
Hiroki Yamauchi ◽  
Wataru Utsumi
Keyword(s):  
Crystal Structure ◽  
Density Distribution ◽  
Maximum Entropy ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Nuclear Density

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

Maximum Entropy Method Analysis of EXAFS Data Using a Specific Criterion to Derive the Prediction Error Filter

1993 ◽  
Vol 32 (S2) ◽  
pp. 122
Author(s):  
Nobuyuki Matsubayashi ◽  
Hiromichi Shimada ◽  
Motoyasu Imamura ◽  
Yuji Yoshimura ◽  
Toshio Sato ◽  
...  
Keyword(s):  
Maximum Entropy ◽  
Prediction Error ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Specific Criterion ◽  
Exafs Data ◽  
Method Analysis
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