Mapping the complete bonding network in KBH4 using the combined power of powder diffraction and maximum entropy method

2015 ◽  
Vol 1053 ◽  
pp. 245-253 ◽  
Author(s):  
Niels Bindzus ◽  
Fausto Cargnoni ◽  
Carlo Gatti ◽  
Bo Richter ◽  
Torben R. Jensen ◽  
...  
Keyword(s):  
Maximum Entropy ◽  
Powder Diffraction ◽  
Maximum Entropy Method ◽  
Entropy Method

Charge density studies utilizing powder diffraction and MEM. Exploring of high Tc superconductors, C60 superconductors and manganites

2001 ◽  
Vol 216 (2) ◽  
Author(s):  
M. Takata ◽  
E. Nishibori ◽  
M. Sakata
Keyword(s):  
Charge Density ◽  
Maximum Entropy ◽  
Powder Diffraction ◽  
Recent Progress ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
High Tc Superconductors ◽  
High Tc ◽  
X Ray

AbstractThe recent progress of the accurate charge density studies by the Maximum Entropy Method(MEM) utilizing X-ray powder diffraction is reviewed with some examples. Results for PrBCO (PrBa

Neutron powder diffraction and difference maximum entropy method analysis of protium- and deuterium-dissolved BaSn0.5In0.5O2.75+α

2009 ◽  
Vol 182 (10) ◽  
pp. 2632-2639 ◽  
Author(s):  
Takanori Nagasaki ◽  
Shinya Shiotani ◽  
Naoki Igawa ◽  
Masahito Yoshino ◽  
Kouta Iwasaki ◽  
...  
Keyword(s):  
Maximum Entropy ◽  
Powder Diffraction ◽  
Maximum Entropy Method ◽  
Neutron Powder Diffraction ◽  
Entropy Method ◽  
Method Analysis

Structural studies of endohedral metallofullerenes by synchrotron radiation powder diffraction

1998 ◽  
Vol 5 (3) ◽  
pp. 977-979 ◽  
Author(s):  
E. Nishibori ◽  
M. Takata ◽  
M. Sakata ◽  
H. Shinohara
Keyword(s):  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Maximum Entropy ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Maximum Entropy Method ◽  
Entropy Method ◽  
Structural Studies ◽  
Charge Densities ◽  
Endohedral Metallofullerenes

The endohedral natures of the metallofullerenes Y@C82 and Sc2@C84 are described based on synchrotron radiation powder diffraction experiments. For structural analysis, a combination of the maximum-entropy method (MEM) and Rietveld refinement was employed to analyse the complicated powder pattern. The obtained MEM charge densities show a clear distinction of the endohedral natures of the mono- and dimetallofullerenes.

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