以结构预测为导向的酸盐合成作为有前途的红外非线性光学材料
Yi Huang1,2, Dongdong Chu1, Yong Zhang2
1Research Center for Crystal Materials; State Key Laboratory of Functional Materials and Devices for Special Environmental Conditions; Xinjiang Key Laboratory of Functional Crystal Materials; Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi, 830011, China.
Angewandte Chemie (International ed. in English)
|June 3, 2024
概括
研究人员为红外非线性光学应用合成了新型非中心对称的-土金属硫酸盐. 由于它们的宽带间隙和强大的第二波生成效应,这些材料对先进的光学设备充满希望.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 光子学 是一个光子学.
背景情况:
- 功能性材料的定向合成在材料科学中至关重要.
- 红外非线性光学 (NLO) 材料的需求很高,具有很大的第二波生成 (SHG) 效果和广的光学频段间隙.
研究的目的:
- 合成和描述第一个非中心对称 (NCS) 性-性土金属 [PS4] 基酸的第一系列.
- 探索它们作为红外NLO材料的潜力.
主要方法:
- 理论结构预测指导了合成.
- 合成LiCaPS4 ,NaCaPS4 ,KCaPS4 ,RbCaPS4 和 CsCaPS4 的合成 .
- 包括光学和结构分析在内的全面表征.
主要成果:
- 成功合成了一系列NCS-性土金属酸盐.
- ACaPS4材料表现出宽带间隙 (3.77-3.86 eV),中度双折射,高激光诱导损伤值 (LIDT) 和合适的SHG反应 (0.4-0.6×AGS).
- Ca-S 债券具有不可忽视的共价性质,其中 [PS4] 和 [CaSn] 单位占主导地位.
结论:
- ACaPS4化合物是红外NLO材料的有希望的候选物.
- 这项工作代表了IR NLO晶体在酸盐系统中首次成功的"预测到合成".
- 提供了设计和合成高性能功能材料的新策略.
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