CsGaGe₃Se₈: Enhanced optical anisotropy and bandgap via cation-substitution-driven dimensionality reduction

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications Pub Date : 2025-10-01 DOI:10.1016/j.inoche.2025.115600

Yue Wang , Rongfang Jiang , Zihao Lou , Yongfang Shi

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Abstract

A strategic dimensionality reduction approach is demonstrated through controlled Cs⁺ incorporation into the three-dimensional (3D) AgGaGe₃Se₈ framework, yielding the new layered compound CsGaGe₃Se₈ while preserving stoichiometry. Single-crystal X-ray diffraction reveals its crystallization in P2₁/c space group, exhibiting a pronounced 2D layered structure distinct from the parent 3D network. Comprehensive characterization shows that CsGaGe₃Se₈ possesses remarkable thermal stability (stable up to 600 °C) and a direct bandgap of 2.41 eV, a 15 % increase compared to the parent phase (2.10 eV). The compound exhibits broad-spectrum transparency (0.43–25 μm) and a moderate birefringence (Δn_cal = 0.05), representing an about 2.5-fold enhancement over AgGaGe₃Se₈ (Δn_cal ≈ 0.020). These findings establish that controlled cationic substitution-driven dimensionality reduction can concurrently modulate bandgap expansion and optical anisotropy. This study not only enriches the family of selenides with a high-performance optical material but also provides a generalizable structural-design paradigm for developing infrared birefringence optical crystals.

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CsGaGe₃Se₈：通过阳离子取代驱动的降维来增强光学各向异性和带隙

通过控制Cs+掺入三维（3D） AgGaGe3Se8框架，展示了一种战略性降维方法，在保持化学计量的同时产生新的层状化合物CsGaGe3Se8。单晶x射线衍射显示其在P21/c空间群中结晶，呈现明显的二维层状结构，不同于母体的三维网状结构。综合表征表明，CsGaGe3Se8具有良好的热稳定性（高达600°C），直接带隙为2.41 eV，比母相（2.10 eV）提高了15%。该化合物具有广谱透明（0.43 ~ 25 μm）和中等双折射（Δncal = 0.05），比AgGaGe3Se8 （Δncal≈0.020）增强约2.5倍。这些发现表明受控的阳离子取代驱动的降维可以同时调制带隙扩展和光学各向异性。该研究不仅丰富了硒化物家族的高性能光学材料，而且为开发红外双折射光学晶体提供了一种可推广的结构设计范式。

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来源期刊

Inorganic Chemistry Communications 化学-无机化学与核化学

CiteScore

5.50

自引率

7.90%

发文量

1013

审稿时长

53 days

期刊介绍： Launched in January 1998, Inorganic Chemistry Communications is an international journal dedicated to the rapid publication of short communications in the major areas of inorganic, organometallic and supramolecular chemistry. Topics include synthetic and reaction chemistry, kinetics and mechanisms of reactions, bioinorganic chemistry, photochemistry and the use of metal and organometallic compounds in stoichiometric and catalytic synthesis or organic compounds.