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Article Abstract

Germanate is garnering increasing attention in the field of optoelectronics owing to its competitive optical transparency and robust stability. Herein, a novel lithium-rich rare-earth germanate, LiYGeO, was fabricated for the first time using a high-temperature solution approach. This compound adopts the asymmetric space group 2 (no. 36), characterized by isolated [YO] and [GeO] structural motifs with Li cations located in the channel. Notably, LiYGeO presents a short ultraviolet cutoff edge at 240 nm, indicative of an enlarged band gap of 4.96 eV and showcases a wide mid-infrared transmission region exceeding 6.0 μm. Moreover, LiYGeO features exceptional thermal stability and moderate second harmonic generation (SHG) intensity. Additionally, a theoretical analysis suggests that the distorted [YO] octahedra. [GeO] and [LiO] tetrahedra play a significant role in the optical activities of LiYGeO. These attributes endow LiYGeO with the potential to serve as a new mid-IR nonlinear optical (NLO) crystal and enrich the structural chemistry of germanates.

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http://dx.doi.org/10.1021/acs.inorgchem.3c04635DOI Listing

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