无机立方钙钛矿Sr3AsI3的结构、电子和光学特性

IF 1.1 Q4 OPTICS
Avijit Ghosh, Md. Ferdous Rahman, Md. Rasidul Islam, Md. Shoriful Islam, M. Hossain, Sagar Bhattarai, Rahul panday, Jaya Madan, Md. Atikur Rahman, Abu Bakar Ismail
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引用次数: 2

摘要

无机钙钛矿材料由于其巨大的结构、光学和电子优势,近年来在太阳能技术领域受到了广泛的关注。本研究利用第一性原理密度泛函理论(FP-DFT)对无机立方钙钛矿sr3as33的结构、光学和电子特性进行了详尽的探讨。Sr3AsI3分子在Γ点的直接带隙为1.265 eV。根据波段特性,该元件在可见光区域具有较强的吸收能力,其光学参数包括介电函数、吸收系数、反射率和电子损失函数。在适合于太阳能电池的光子能量范围内,可以看到s3as3介电常数的尖峰。因此,sr3as3钙钛矿被认为适合应用于太阳能电池的能源生产和光管理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Structural, electronic and optical characteristics of inorganic cubic perovskite Sr3AsI3
Inorganic perovskite materials have recently received significant consideration in the sector of solar technology because of their tremendous structural, optical, and electronic strengths. This research exhaustively inquired about the structural, optical, and electronic characteristics of the inorganic cubic perovskite Sr 3 AsI 3 utilizing the first-principles density-functional theory (FP-DFT). The Sr3AsI3 molecule exhibits a direct bandgap of 1.265 eV value at Γ point. According to band characteristics, this component has a strong absorption capability in the region of visibility, as demonstrated by optical parameters including dielectric functions, absorption coefficient, reflectivity, and electron loss function. It is discovered that the spikes of the dielectric constant of Sr 3 AsI 3 are visible in the photon energy range which are suitable for solar cells. As a result, the Sr 3 AsI 3 perovskite is considered suitable for the application of energy production and light management in solar cells.
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