研究目的
Investigating the potential of MCO [M = S, (Cl2B)3B] compounds to achieve giant optical birefringence and nonlinearity in the deep-ultraviolet region.
研究成果
The study predicts that MCO [M = S, (Cl2B)3B] compounds can exhibit the largest SHG effect and birefringence among known DUV NLO materials, potentially advancing the development of functional DUV optical materials.
研究不足
The study is theoretical, and experimental validation is needed to confirm the predicted properties. The practical application of these materials in DUV optical devices requires further development.
1：Experimental Design and Method Selection:
First-principles calculations were performed to predict the optical properties of MCO compounds.
2：Sample Selection and Data Sources:
The study focused on MCO [M = S, (Cl2B)3B] compounds, which have been synthesized in experiments.
3：List of Experimental Equipment and Materials:
Computational methods and software (CASTEP) based on density functional theory were used.
4：Experimental Procedures and Operational Workflow:
The study involved theoretical calculations of the linear and nonlinear optical properties of the compounds.
5：Data Analysis Methods:
The SHG-weighted density and response electron distribution anisotropy model were used to analyze the results.
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