Mixed-metal thiophosphate CuCd3PS6: an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture,Journal of Materials Chemistry C

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Mixed-metal thiophosphate CuCd3PS6: an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2020-03-17 , DOI: 10.1039/d0tc00832j
Zhuang Li _{1,

2,

3,

4,

5} , Shengzi Zhang _{1,

2,

3,

4,

5} , Wenhao Xing _{1,

2,

3,

4,

5} , Yangwu Guo _{1,

2,

3,

4,

5} , Chunxiao Li _{1,

2,

3,

4,

5} , Zheshuai Lin _{1,

2,

3,

4,

5} , Jiyong Yao _{1,

2,

3,

4,

5} , Yicheng Wu _{1,

2,

3,

4,

5}

Affiliation

Novel mixed-metal thiophosphate CuCd₃PS₆ has been firstly discovered and fully characterized. Careful experimental and theoretical investigations demonstrate that CuCd₃PS₆ is a benign infrared nonlinear optical material with a moderate second harmonic generation response of 0.9 × AgGaS₂ at 41–74 μm, a large laser damage threshold of 4.1 × AgGaS₂, a wide band gap of 2.24 eV and a low melting point of 603 °C. Moreover, first principles calculations indicate that CuCd₃PS₆'s intriguing nonlinear optical performance is activated by its three-in-one tetrahedra-stacking architecture.

中文翻译：

混合金属硫代磷酸盐CuCd3PS6：一种红外非线性光学材料，其三合一四面体堆叠结构可激活该材料

新型混合金属硫代磷酸盐CuCd ₃ PS ₆首次被发现并充分表征。仔细的实验和理论研究表明，CuCd ₃ PS ₆是一种良性的红外非线性光学材料，在41-74μm处具有中等的二次谐波产生响应0.9×AgGaS ₂，较大的激光损伤阈值为4.1×AgGaS ₂，宽带间隙为2.24 eV，熔点为603°C。此外，第一原理计算表明，CuCd ₃ PS ₆的吸引人的非线性光学性能由其三合一四面体堆叠体系结构激活。

更新日期：2020-04-24

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