Preprints of Annual Meeting of The Ceramic Society of Japan
Preprints of Fall Meeting of The Ceramic Society of Japan
Annual Meeting of The Ceramic Society of Japan, 2011
Session ID : 1B17A
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Host: The Ceramic Society of Japan

Atomic and electronic structure analysis of functional materials by first principles calculation and core-loss spectroscopy
*Teruyasu Mizoguchi
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Keywords: First principles calculation, nano analysis, Materials Design
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Abstract
In order to find structure-property relationships in functional materials, STEM, ELNES, and theoretical calculations were performed. Following topics will be mainly presented; 1) Theoretical ELNES/XANES by one- and multi-particle calculations: 2) Vacancy formation and dopant segregations in SrTiO3 and ZnO grain boundaries(GBs).
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© The Ceramic Society of Japan 2011
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