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密度汎関数理論、非経験的理論

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The proposed oxygen diffusion mechanism in the La apatite, La9.33(SiO4)6O2. It has been accepted that an excess oxygen is essential in the diffusion mechanism. We proposed the interstitialcy mechanism on the basis on the theoretical study.

PublicationsNIMS affiliated publications since 2004.

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    日本物理学会日本高圧力学会American Physical Society

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