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アニオン調整の逆転による高圧ポリモルフ
Thibault Broux1, Hiroki Ubukata1, Chris J Pickard2,3
1Graduate School of Engineering , Kyoto University , Kyoto 615-8510 , Japan.
Journal of the American Chemical Society
|May 18, 2019
まとめ
研究者は新しい高圧形式のランタン酸化水素 (LaHO) を発見した. 圧力で安定したこれらの新しい構造は,ヒドリドとオキシドアニオンのユニークな調整変化を示し,混合アニオン材料の研究を進めています.
科学分野:
- 固体化学
- 材料科学
- 高圧物理学
背景:
- オキシヒドリドランタン (LaHO) は,新しい特性を持つ混合アニオン物質です.
- 極端な条件下での構造的振る舞いを理解することは 材料の発見に不可欠です
研究 の 目的:
- ランタン酸化水素の新型高圧ポリモルフの予測と安定化
- 圧力下でのアニオンの構造変化と調整変化を調査する.
主な方法:
- 高圧合成と安定化実験
- 構造確認と分析のための初期計算.
- 構造的決定のためのX線 difraktionまたは類似の技術 (暗示).
主要な成果:
- 2つの新しい高圧ポリモルフが予測され安定化されました.
- 3GPaでは,LaHOはフッ素構造からPbCl2型構造に変化し,ヒドリドの調整が増加する.
- 5GPaで,LaHOは,四面体と正方形ピラミッドの間の調整切り替えを特徴とする反Fe2P型の構造を採用しています.
結論:
- 圧力下でのLaHOにおける観測された調整スイッチングは,水素アニオンの高圧縮性による.
- この発見は,混合アニオン材料の新しい高圧形態の設計におけるヒドリドアニオン圧縮性の可能性を強調しています.
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