Doubling Polarizability Anisotropy of The Tetrahedral Motifs to Achieve Phase Matching for Melilite-Type Compound
Oxychalcogenides are extensively studied as infrared nonlinear optical (NLO) materials, as they may hybridize the advantages of oxides and chalcogenides. Here, new Eu<sub>2</sub>Ga<sub>2</sub>GeOS<sub>6</sub> (EGGOS) was designed using Eu<sub>2</sub>Ga<sub>2</sub>GeS<sub>7</sub> (EGGS) as the parent through anion partial substitution (APS) and synthesized by the facile flux assisted metal oxide-boron-chalcogen (FMOBQ) solid-state method. Compared with the {[Ga<sub>2</sub>GeS<sub>7</sub>]<sup>4-</sup>}<sub>∞</sub> layer in EGGS, the {[Ga<sub>2</sub>GeOS<sub>6</sub>]<sup>4-</sup>}<sub>∞</sub> layer in EGGOS has a greater distortion degree, thereby improving anisotropy to obtain greater birefringence and achieve phase matching, different from nonphase matching for EGGS. Through structural analysis, the first-principles and Gaussian polarizability anisotropy calculations reveal the mechanism of this transformation. This work provides ideas for designing new NLO materials with improved performances.
Authors
- Zhi Deng (ORCID: https://orcid.org/0000-0003-1562-5508)
- Sheng‐Ping Guo (ORCID: https://orcid.org/0000-0002-9703-1537)
- Rui Xiao (ORCID: https://orcid.org/0000-0002-2154-2728)
- Xiang Chen (ORCID: https://orcid.org/0000-0002-1218-7912)
- Wenlong Liu (ORCID: https://orcid.org/0000-0002-8514-6812)
- Ao Guo (ORCID: https://orcid.org/0000-0002-9698-8425)
- Mao‐Yin Ran
Institutions
- Yunnan University (CN)
- National Engineering Research Center of Electromagnetic Radiation Control Materials (CN)
- Yangzhou University (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2025-08-18
- DOI
- https://doi.org/10.1021/acs.inorgchem.5c03431
- Citations
- 1
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.43
Funders
- National Natural Science Foundation of China
- Yunnan University