Birefringence is a key parameter for linear and nonlinear optical materials, as they play an integral role in modulating the polarization of light or angle phase-matching. Currently, only a few birefringent materials are commercially utilized, including MgF₂, α-BaB₂O₄ (α-BBO), CaCO₃, YVO₄, TiO₂, and LiNbO₃ with the birefringence 0.012~0.256 @1064 nm. However, the application of existing birefringent materials is limited by restricted transparency wavelength or optical anisotropy. The process of trial and error is time-consuming and inefficient in terms of resources, especially when compared to the vast design spaces for materials. The immense chemical space necessitates a high-throughput approach for giant optical anisotropy materials design.

Recently, Research Center for Crystal Materials of Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, constructed a full-applied wavelength map of birefringent materials, from conventional visible expanding to ultraviolet and deep-ultraviolet region by high-throughput screening methods. And 579 materials with the birefringence exceeding those of the commercial birefringent materials in corresponding regions were screened successfully. Significantly, 54 materials possess giant birefringence above 0.5 @1064 nm. In addition, the authors developed a high-throughput screening technique for microscopic structures with given coordination number, a comprehensive map of functional modules featuring birefringent was characterized for the first time. According to the macroscopic and microscopic dual-functional maps, a novel crystal Li₂(HC₃N₃S₃)∙5H₂O with birefringence difference 0.532 @546 nm was designed and synthesized successfully. This study identifies desired materials with high performance in unheeded chemical spaces.

This study conducted by Professors Zhihua Yang and Shilie Pan from the Xinjiang Technical Institute of Physics and Chemistry, research assistant Abudukadi Tudi as the first author. The study published in Adv. Funct. Mater., 2024, 34, 2409716. 

DOI: https://doi.org/10.1002/adfm.202409716

Figure 1. Distribution of selected birefringent materials. a) Birefringence distribution of different region, b) distribution of stoichiometry potential birefringent materials, c) full-applied wavelength map of potential birefringent materials.

Contact: 

Zhihua Yang 

Xinjiang Technical Institute of Physics & Chemistry Chinese Academy of Sciences 40-1 South Beijing Road Urumqi 830011, China

Phone: (86)991-3674558

E-mail: zhyang@ms.xjb.ac.cn