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<p>The simultaneous achievement of wide band gap and strong nonlinear optical (NLO) effect poses a challenging task in the development of infrared (IR) NLO materials. The coupling strategy of polyhedral building blocks has been demonstrated to be one of the effective approaches for constructing superior optical materials with well-balanced performance. Here, a new family of IR NLO materials A<sup>I</sup><sub>2</sub>Mg<sub>3</sub>Ga<sub>12</sub>S<sub>22</sub> (A<sup>I</sup> = K, Rb) that first contain [MgS<sub>6</sub>] octahedra and T2-type supertetrahedra was designed and synthesized. K<sub>2</sub>Mg<sub>3</sub>Ga<sub>12</sub>S<sub>22</sub> exhibits a wide band gap of 3.34 eV, and a moderate second-harmonic generation response intensity of 0.4 times that of AgGaS<sub>2</sub> under 2 µm Q-switched laser radiation. Furthermore, the birefringence of K<sub>2</sub>Mg<sub>3</sub>Ga<sub>12</sub>S<sub>22</sub> is calculated to be 0.028@1064 nm, resulting in favorable phase-matching behavior in IR region. These characteristics suggest that K<sub>2</sub>Mg<sub>3</sub>Ga<sub>12</sub>S<sub>22</sub> could be a promising material for nonlinear frequency conversion applications and it provides new ideas into the design of novel compounds with outstanding IR NLO performances.</p>

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AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties

  • 期刊论文

  • 发表日期：

    2025年1月22日

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  • Mengmeng Chen,
  • Xu Liu,
  • Abudukadi Tudi,
  • Chen Cui,
  • Qixian Ren,
  • Zhihua Yang,
  • Yabo Wu,
  • Shilie Pan

摘要

The simultaneous achievement of wide band gap and strong nonlinear optical (NLO) effect poses a challenging task in the development of infrared (IR) NLO materials. The coupling strategy of polyhedral building blocks has been demonstrated to be one of the effective approaches for constructing superior optical materials with well-balanced performance. Here, a new family of IR NLO materials AI2Mg3Ga12S22 (AI = K, Rb) that first contain [MgS6] octahedra and T2-type supertetrahedra was designed and synthesized. K2Mg3Ga12S22 exhibits a wide band gap of 3.34 eV, and a moderate second-harmonic generation response intensity of 0.4 times that of AgGaS2 under 2 µm Q-switched laser radiation. Furthermore, the birefringence of K2Mg3Ga12S22 is calculated to be 0.028@1064 nm, resulting in favorable phase-matching behavior in IR region. These characteristics suggest that K2Mg3Ga12S22 could be a promising material for nonlinear frequency conversion applications and it provides new ideas into the design of novel compounds with outstanding IR NLO performances.