深紫外線非線形光学結晶: Ba3P3O10X (X = Cl, Br)
Peng Yu1, Li-Ming Wu, Liu-Jiang Zhou
1Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, People's Republic of China.
Journal of the American Chemical Society
|December 21, 2013
まとめ
新しい深紫非線形光学 (NLO) 結晶であるBa3P3O10ClとBa3P3O10Brは,200 nm以下の深紫外線の効率的な生成を提供します. これらのフォスファートは,短い紫外線カットオフエッジと高度なレーザーアプリケーションのためのユニークな構造特性を有しています.
科学分野:
- マテリアルサイエンス 材料科学
- 固体物理 固体物理学
- クリスタログラフィーです.
背景:
- 深い紫外線非線形光学 (NLO) 結晶は,第2ハーモニック生成 (SHG) 経由で200nm未満の一貫した光を生成するために不可欠です.
- 短い紫外線カットオフエッジと効率的なNLO特性を備えた新しい深紫外NLO材料の開発は,依然として大きな課題です.
研究 の 目的:
- 新しい深紫外NLOリン酸結晶を発見し,特徴づけること.
- 彼らのNLOのパフォーマンスを支配する構造-財産関係を調査する.
主な方法:
- 新種のリン酸化合物の合成と結晶学分析.
- 粉末と単結晶のSHG測定. 粉末と単結晶のSHG測定.
- 電子構造とNLO特性分析のための密度関数理論 (DFT) 計算.
主要な成果:
- 前例のない深紫外NLOフォスファート,Ba3P3O10Cl (BPOC) とBa3P3O10Br (BPOB) の発見により,新しい構造型が発見されました.
- これらの材料は,I型相対応行動を持つ中程度の粉末SHG強度を示します.
- 単一結晶には約180nmの短い紫外線カットオフエッジが測定され,これはフォスファートでは最も短いものの1つです.
- DFTの計算により,SHG反応は非対称な[P3O10](5-) アニオン,Ba(2+) カチオン,およびハリドアニオン (Cl-/Br-) の相乗効果から生じることが明らかになった.
結論:
- BPOCとBPOBは,優れたUV透明性と効率的なSHG特性を持つ深紫外NLO材料を約束しています.
- 結晶パッキングは,[P3O10](5-) 建物ユニットの幾何学と極化に大きく影響し,NLOの性能に影響します.
- アニオン成分とカチオン成分の組み合わせによる貢献は,これらの新しいリン酸塩で効率的なNLO反応を達成するための鍵です.
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