軽元素錯体水素化物ＬｉＢＨ４の高圧構造相転移とイオン伝導特性

• 中野 智志

  物質・材料研究機構　先端材料プロセスユニット　超高圧グループ

• 藤久 裕司

  産業技術総合研究所　計測フロンティア研究部門　ナノ移動解析研究グループ

• 山脇 浩

  産業技術総合研究所　計測フロンティア研究部門　ナノ移動解析研究グループ

• 後藤 義人

  産業技術総合研究所　計測フロンティア研究部門　ナノ移動解析研究グループ

• 亀卦川 卓美

  高エネルギー加速器研究機構　物質構造科学研究所　放射光科学研究施設

書誌事項

タイトル別名

• High-Pressure Transformations and Ionic Conductivity in Low-Z Complex Hydride LiBH4
• ケイゲンソ サクタイ スイソカブツ LiBH4 ノ コウアツ コウゾウ ソウ テンイ ト イオン デンドウ トクセイ

抄録

  An x-ray diffraction measurement and a density functional theory (DFT) calculation of the pressure-induced transformation in LiBH4 were performed. The structure of its first high pressure phase at room temperature (phase-III) was determined to be I4₁/acd structure, whose unit cell was a √ 2 ×√ 2 ×2 supercell of Ama2 structure proposed previously. Pressure-induced transformation from phase-III took place at 16 GPa and the structure of the second high-pressure phase was analyzed as I4/mmm structure (phase-V′), in which hydrogen atoms were disordered. However, an annealing treatment for phase-V′ under high-pressure suggested that it was a metastable phase. With the pressure elevated up to 30 GPa, the tetragonal I4/mmm structure was gradually transformed to a cubic Fm3m structure, which has been reported as a stable phase of phase-V previously. The P-T diagram was examined using high-pressure/high-temperature Raman scattering, and pressure/temperature dependence of the relative ionic conductivity was observed across the phase boundaries.<br>

収録刊行物

• 高圧力の科学と技術

  高圧力の科学と技術 21 (3), 213-220, 2011

  日本高圧力学会

キーワード

• borohydride
• high-pressure
• DAC
• phase transition
• structure analysis
• hydrogen
• ionic conductivity

詳細情報

• CRID: 1390001204381784064
• NII論文ID: 10029831718
• NII書誌ID: AN10452913
• DOI: 10.4131/jshpreview.21.213
• ISSN: 13481940
• ISSN: 0917639X
• NDL書誌ID: 11287074
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I11287074
• 本文言語コード: ja
• データソース種別:
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