Ba2Si3P6:具有热屏障链的1D非线性光学材料
Justin Mark1,2, Jian Wang1,2, Kui Wu3
1Department of Chemistry , Iowa State University , Ames , Iowa 50011 , United States.
Journal of the American Chemical Society
|July 6, 2019
概括
合成了一种新的酸,Ba2Si3P6. 这种新型半导体具有超低的导热率和有前途的非线性光学特性,
科学领域:
- 固态化学
- 材料科学
- 无机合成
背景情况:
- 酸是一种未经探索的材料.
- 对于先进的应用来说,了解新型化物中的结构性质关系至关重要.
研究的目的:
- 合成和描述一种新的酸,Ba2Si3P6.
- 为了研究它的晶体结构,电子,热和光学特性.
- 评估其非线性光学应用和晶体生长的潜力.
主要方法:
- 单晶X射线衍射用于结构确定.
- 电子带结构计算和光学光谱测定带隙.
- 测量热导电性
- 第二次波生成 (SHG) 和激光损伤值测试
- 差分扫描热量计 (DSC) 用于相位过渡分析.
主要成果:
- Ba2Si3P6 在非中心对称空间组Pna21中结晶.
- 它具有独特的SiP4四面体一维双四面体链.
- 该化合物是一种半导体,计算带隙为1.6 eV,实验光学带隙为1.88 eV.
- 观察到超低的热导率 (0.56 W m-1 K-1),有前途的SHG (0.9 × AgGaS2),以及高的激光损伤值 (1.6 × AgGaS2).
- 在1373K的融表明单晶生长的潜力.
结论:
- Ba2Si3P6是一种具有独特结构和有前途的光电子特性的新型半导体.
- 它的超低导热率和非线性光学特性使其成为光学材料的候选材料.
- 一致融化表明大单晶合成的可行性.
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