研究目的
To design and synthesize a new nonlinear optical (NLO) crystal with wide bandgap and strong second harmonic generation (SHG) response by aliovalent substitution.
研究成果
The study successfully synthesized a new NLO crystal, Pb2GaF2(SeO3)2Cl, with a wide bandgap and strong SHG response through aliovalent substitution. This approach paves the way for the development of efficient NLO crystals with desired properties.
研究不足
The study focuses on the synthesis and characterization of a specific NLO crystal, and while it demonstrates a significant improvement in bandgap and SHG response, the practical application and scalability of the material require further investigation.
1：Experimental Design and Method Selection:
The study employed a band engineering strategy with aliovalent substitution to design and synthesize the NLO crystal Pb2GaF2(SeO3)2Cl.
2：Sample Selection and Data Sources:
Single crystals of Pb2GaF2(SeO3)2Cl were obtained through high temperature hydrothermal reactions.
3：List of Experimental Equipment and Materials:
The phase purity was confirmed by powder XRD, and thermogravimetric analyses (TGA) were used to assess thermal stability.
4：Experimental Procedures and Operational Workflow:
The crystal structure was determined, and its properties were characterized through various spectroscopic and computational methods.
5：Data Analysis Methods:
First-principles studies were conducted to elucidate the role of (GaO3F3)6? groups in the material's properties.
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