2007年10月
Formation mechanism of defect metal hydrides containing superabundant vacancies
JOURNAL OF PHYSICS-CONDENSED MATTER
- ,
- 巻
- 19
- 号
- 43
- 開始ページ
- p.436201
- 終了ページ
- 記述言語
- 英語
- 掲載種別
- DOI
- 10.1088/0953-8984/19/43/436201
- 出版者・発行元
- IOP PUBLISHING LTD
The formation of defect hydrides containing a large number of M-atom vacancies (superabundant vacancies; SAVs) was studied in bcc NbHx and in the fcc phase of FeHx, CoHx, NiHx and PdHx, by resistivity and XRD measurements under different conditions of hydrogen pressure and temperature, with/without allowing for exchange of hydrogen with environment (open-/closed-system methods). Two distinctly different behaviors were observed: in metals with small formation energy of Vac-H clusters, both H and vacancies enter abundantly into the M-lattice to form the ultimate defect-ordered structure, whereas in metals with relatively large formation energies, vacancy concentrations remain relatively small. This general trend was examined by Monte Carlo simulations based on a lattice-gas model. The result showed the occurrence of two distinct phases in the vacancy distribution caused by the combined action of the long- range elastic interaction and local Vac-H interactions, in accordance with the observation. Conditions for the occurrence of these 'vacancy-rich' and 'vacancy-poor' states are examined.
- リンク情報
- ID情報
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- DOI : 10.1088/0953-8984/19/43/436201
- ISSN : 0953-8984
- Web of Science ID : WOS:000250146700004