Department of Chemistry, University of Houston, 136 Fleming Building, Houston, Texas 77204-5003, United States.
J Am Chem Soc. 2011 Aug 17;133(32):12422-5. doi: 10.1021/ja205456b. Epub 2011 Jul 26.
A new noncentrosymmetric (NCS) and polar material containing two lone-pair cations, Bi(3+) and I(5+), and exhibiting an Aurivillius-type (Bi(2)O(2))(2+) layer has been synthesized and structurally characterized. The material, BiO(IO(3)), exhibits strong second-harmonic generation (SHG), ∼12.5 × KDP (or ∼500 × α-SiO(2)), using 1064 nm radiation, and is found in the NCS polar orthorhombic space group Pca2(1) (No. 29). The structure consists of (Bi(2)O(2))(2+) cationic layers that are connected to (IO(3))(-) anions. The macroscopic polarity, observed along the c-axis direction, may be attributed to the alignment of the IO(3) polyhedra. In addition to the crystal structure and SHG measurements, polarization and piezoelectric measurements were performed, as well as electronic structure analysis.
一种新的非中心对称（NCS）和极性材料，含有两个孤对阳离子，Bi(3+)和 I(5+)，并表现出 A 型钙钛矿结构（Bi(2)O(2))(2+)层，已被合成并进行了结构表征。该材料，BiO(IO(3))，在 1064nm 辐射下表现出强的二次谐波产生（SHG），约为 12.5×KDP（或约 500×α-SiO(2))，并存在于 NCS 极性正交空间群 Pca2(1)（No.29）中。结构由（Bi(2)O(2))(2+)阳离子层组成，这些层与（IO(3))(-)阴离子相连。沿 c 轴方向观察到的宏观极性，可能归因于 IO(3)多面体的排列。除了晶体结构和 SHG 测量外，还进行了极化和压电测量以及电子结构分析。
