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Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence.
TLDR
Theoretical calculations revealed the crucial effects of mixed-anion [GeOSe3] and [GeO3S] units on the moderate second harmonic generation response and large birefringence, which will guide the exploration of new functional oxychalcogenides.