1997 Fiscal Year Final Research Report Summary
The Novel Method for Fine Structural Analysis by the MEM Combined with Rietveld Analysis.
| Project/Area Number |
07455008
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Applied materials science/Crystal engineering
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| Research Institution | Shimane University (1997)
Nagoya University (1995-1996) |
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Principal Investigator |
TAKATA Masaki Shimane University, Dept.of Material Science, Associate Professor, 総合理工学部, 助教授 (60197100)
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| Co-Investigator(Kenkyū-buntansha) |
YAMADA Yu Shimane University, Dept.of Material Science, Associate Professor, 総合理工学部, 助教授 (10242835)
KUMAZAWA Shintaro JAERI,ASRC,Researcher, 博士研究員 (80246686)
SAKATA Makoto Nagoya University, Dept.of Applied Physics, Professor, 大学院・工学研究科, 教授 (40135306)
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| Project Period (FY) |
1995 – 1997
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| Keywords | Maximum Entropy Method / Rietveld Analysis / Powder Diffraction / Fine Structure Analysis / Metallo fullerence / Charge Density |
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| Research Abstract |
This research project had been carried out to develop the novel method of fine structural analysis using the Maximum Entropy Method (MEM) combined with Rietveld analysis. This method employs the Rietveld Analysis to deconvolute the complicated powder pattern to estimate integrated intensities of each reflections for the MEM analysis. As the final result, we can obtain the fine charge density including information of bonding nature etc.from power diffraction data. The aim of this work was to extend a potential of the structural analysis and then to open a door to "new crystallography" by the improvement of an ability of MEM using a merit of the Rietveld analysis for the powder pattern fitting. Consequently, the work was achieved sucessfully and the present method has been already applied to many fullerene-related materials, high-Tc superconductors and etc. Among them, the sucess of the structural analysis of metallofullerene, Y@C_<82>, was one of the greatest results in this project. This has been published in Nature (377 (1995) 46-49) and reported in some news papers.
The MEM combined with Rietveld analysis shall become key method of the structural studies of complicated materials.
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