芳香族単一分子結晶の圧力誘起金属化と分子解離
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概要
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Iodanil (tetraiodo-p-benzoquinone) C6O2I4 and hexaiodbenzene C6I6 crystals are known as very rare aromatic monomolecular solids showing the pressure-induced metallisation. However, the metallisation mechanism and the relation with molecular decomposition have not been fully understood yet. Recently, I have tried to elucidate these problems by means of the constant-pressure first-principles calculations, and presented probable mechanisms on their metallisation and decomposition. In this article, I review the results of this study with some recent progress.
- 日本高圧力学会の論文
- 2003-08-20
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