Citation:
Qi Sun, Hongshan Wang, Linlin Liu, Zuxin Chen, Junjie Li, Shilie Pan. A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property[J]. Chinese Journal of Structural Chemistry,
;2025, 44(6): 100591.
doi:
10.1016/j.cjsc.2025.100591
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Multifunctional semiconductors play an important role in developing advanced photoelectric technologies. In this work, based on an octahedral replacement strategy in chalcogenides, a new selenide semiconductor NaMn3Ga3Se₈ was rationally designed, and synthesized by the flux method. The compound crystallizes in the noncentrosymmetric (NCS) P6̄ space group, and is composed of unique prismatic [NaSe6], octahedral [MnSe6] and tetrahedral [GaSe4] motifs, inheriting the stable three-dimensional framework built by the octahedral and tetrahedral units in the AIMg3ᴵᴵC3ᴵᴵᴵQ₈ⱽᴵ family. NaMn3Ga3Se₈ shows the largest known secondary nonlinear optical (NLO) response of ∼2.1 × AgGaS2 (AGS) in the AIMg3ᴵᴵC3ᴵᴵᴵQ₈ⱽᴵ family, and a high laser-induced damage threshold of ∼3.0 × AGS. Meanwhile, the introduction of Mn2+ with unpaired 3d electrons induces a strong red emission band (685–805 nm) under the excitation source of 496 nm, as well as a paramagnetic to antiferromagnetic (AFM) transition at 7.3 K. The results confirm that NaMn3Ga3Se₈ possesses multifunctional features including significant NLO response, fluorescence emission and AFM properties, and illustrate that replacing octahedral units with approaching size and geometry (like [MgSe6] and [MnSe6]) could be a feasible way to develop multifunctional chalcogenides.
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