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K3NaGa12O2S18: First Oxychalcogenide with Diamond-Like Framework Toward Remarkable Nonlinear Optical Performance
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DOI：10.31635/ccschem.025.202505799.png)
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Abstract
En 中文
Although diamond-like structures are considered highly promising candidates for nonlinear optical (NLO) materials, those incorporating mixed anions remain rarely explored. This study reports the synthesis of a new mixed-anion compound, K3NaGa12O2S18 (KNGOS), which is the first oxychalcogenide with a diamond-like framework, as far as we know. KNGOS features nanopores approximately 8.53 & Aring; in diameter and a diamond-like skeleton comprising single-anion [GaS4] and mixed-anion [Ga3OS9] units. These units create highly distorted coordination environments that enhance birefringence, polarizability, and optical band gap. As expected, KNGOS exhibits advanced NLO material, including a high birefringence (0.136 @546 nm) for phase-matching capabilities, strong second-harmonic generation response (1.74 x AgGaS2 @1700 nm), a wide band gap (3.79 eV) primarily contributing to a high laser-induced damage threshold (6.6 x AgGaS2), and good physicochemical stabilization. Notably, this study highlights that incorporating an oxychalcogenide with a diamond-like mixed-anionic architecture can substantially enhance the performances of NLO material.
Keywords:
nanopore
oxychalcogenide
second-harmonic generation
diamond-like framework
mixed-anions