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Optical and Dynamic Properties of ZnGa2S4
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2021-05-28 , DOI: 10.1002/pssb.202100101 S.G. Asadullayeva 1 , Z.A. Jahangirli 1, 2 , T.G. Naghiyev 3 , D.A. Mammadov 1
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2021-05-28 , DOI: 10.1002/pssb.202100101 S.G. Asadullayeva 1 , Z.A. Jahangirli 1, 2 , T.G. Naghiyev 3 , D.A. Mammadov 1
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ZnGa2S4 luminescent compound is prepared by solid-state reaction, which is confirmed by X-ray diffraction to have a tetragonal structure. The photoluminescence (PL) emission and excitation spectra, infrared (IR) reflectivity and Raman scattering of the defective ZnGa2S4 compound are studied experimentally. High stability of the shape and peak positions of the PL spectra is observed in a wide range temperature range (100–290 K). It was determined that PL intensity increases with decreasing temperature. Higher correlated color temperature (CCT) value >6000 K implies the suitability of using this material for light emitting diodes. Five modes of optical phonons are found in both IR reflectance and Raman spectra of ZnGa2S4 and identified from point group symmetry analysis. The calculations of the dynamic properties are carried out within the framework of the density functional theory (DFT) with full optimization of the lattice parameters. Results of calculations show that, the phonon-dispersion curve is sensitive to S–Se replacement in ZnGa2S4 and gives rise to clearly pronounced energy gaps in the phonon spectrum.
中文翻译：
ZnGa2S4 的光学和动态特性
ZnGa 2 S 4发光化合物是通过固态反应制备的，经X射线衍射证实具有四方结构。实验研究了缺陷ZnGa 2 S 4化合物的光致发光(PL)发射和激发光谱、红外(IR)反射率和拉曼散射。在较宽的温度范围 (100–290 K) 中观察到 PL 光谱的形状和峰值位置的高稳定性。确定PL强度随着温度的降低而增加。较高的相关色温 (CCT) 值 >6000 K 意味着该材料适用于发光二极管。在 ZnGa 2 的红外反射和拉曼光谱中发现了五种光学声子模式S 4并由点群对称性分析确定。动态特性的计算在密度泛函理论 (DFT) 的框架内进行，并对晶格参数进行了全面优化。计算结果表明，声子色散曲线对 ZnGa 2 S 4 中的S-Se 置换敏感，并在声子光谱中产生明显的能隙。
更新日期：2021-05-28
中文翻译：
ZnGa2S4 的光学和动态特性
ZnGa 2 S 4发光化合物是通过固态反应制备的，经X射线衍射证实具有四方结构。实验研究了缺陷ZnGa 2 S 4化合物的光致发光(PL)发射和激发光谱、红外(IR)反射率和拉曼散射。在较宽的温度范围 (100–290 K) 中观察到 PL 光谱的形状和峰值位置的高稳定性。确定PL强度随着温度的降低而增加。较高的相关色温 (CCT) 值 >6000 K 意味着该材料适用于发光二极管。在 ZnGa 2 的红外反射和拉曼光谱中发现了五种光学声子模式S 4并由点群对称性分析确定。动态特性的计算在密度泛函理论 (DFT) 的框架内进行，并对晶格参数进行了全面优化。计算结果表明，声子色散曲线对 ZnGa 2 S 4 中的S-Se 置换敏感，并在声子光谱中产生明显的能隙。
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