| 类钙钛矿甲酸盐的线性和非线性光学响应 | |
| Linear and nonlinear optical responses in perovskite-like formate salts | |
| 摘要: 采用原位溶剂热法合成了2种混合有机阳离子杂化甲酸盐(CH (NH2)2)[RE (HCOO)4](RE=Y、Er)。这2种材料是同构的(手性空间群C2221)，并具有有趣的类钙钛矿结构。进行了包括线性和非线性光学特性在内的光物理研究。(CH (NH2)2)[Y (HCOO)4]和(CH (NH2)2)[Er (HCOO)4]分别表现出5.59和5.61 eV的宽光学带隙，对应于222和221 nm的紫外吸收边缘。粉末倍频测量表明，(CH (NH2)2)[Y (HCOO)4]和(CH (NH2)2)[Er (HCOO)4]的倍频效应分别是基准KH2PO4(KDP)的0.32和0.37倍。测量得到(CH (NH2)2)[Y (HCOO)4]和(CH (NH2)2)[Er (HCOO)4]的双折射率分别为0.013和0.015。第一性原理研究表明，2个π共轭的(CH (NH2)2)+和HCOO-基团是光学性质的主要贡献者。 | |
| 关键词: 类钙钛矿结构 带隙 倍频 双折射 第一性原理 | |
| 基金项目: 国家自然科学基金(No.51432006,52002276)、中国教育部长江学者创新团队计划(No.IRT14R23)、中国教育部和国家外国专家局111计划(No.B13025)和上海市教育委员会创新计划资助。 | |
| Abstract: Two mixed organic cationic hybrid formate salts, (CH(NH2)2)[RE(HCOO)4] (RE=Y, Er), have been obtained by in situ solvothermal synthesis. The two materials are isostructural (chiral space group C2221) and feature interesting perovskite-like structures. Photophysical studies including linear and nonlinear optical characteristics were performed. (CH(NH2)2)[Y(HCOO)4] and (CH(NH2)2)[Er(HCOO)4] exhibited wide optical bandgaps of 5.59 and 5.61 eV, corresponding to the UV absorption edges of 222 and 221 nm, respectively. Powder second harmonic generation (SHG) measurements demonstrate that the SHG effects of (CH(NH2)2)[Y(HCOO)4] and (CH(NH2)2)[Er(HCOO)4] were 0.32 and 0.37 times that of benchmark KH2PO4 (KDP), respectively. The birefringences were measured to be 0.013 and 0.015 for (CH(NH2)2)[Y(HCOO)4] and (CH(NH2)2)[Er(HCOO)4], respectively. First-principles studies show that two π -conjugated (CH(NH2)2)+ and HCOO- groups are the main contributors to the optical properties. | |
| Keywords: perovskite-like structure bandgap second harmonic generation birefringence first-principles | |
| 投稿时间：2023-10-16 修订日期：2023-11-27 | |
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| 齐鲁,冉丛娇,吴超,黄智鹏,张弛.类钙钛矿甲酸盐的线性和非线性光学响应[J].无机化学学报,2024,40(1):247-255. | |
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