GaAs0.75Sb0.25纳米片对相关压力的光学响应

M. Othman
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引用次数: 3

摘要

研究了GaAs 0.75 Sb 0.25纳米片在高压下的光学响应。本文采用密度泛函理论(DFT)框架下的广义梯度近似(GGA)方法,通过CASTEP程序进行了数值模拟。在不同压力下(P = 0,2和4gpa)。计算了纳米片的几何优化参数。光学数据随高压的变化而变化。随着纳米片内压力的增加,光能带隙、静态介电常数(0.01)和光电导率(0.01)的p = 4 GPa升高,p = 2 GPa下降。讨论了介电函数、光带隙能、光吸收和光电导率的实态曲线(𝜔)和虚态曲线(𝜔)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Optical Response of GaAs0.75Sb0.25 Nanosheet for Dependent Pressure
The study analyzed the optical response of GaAs 0.75 Sb 0.25 nanosheet under high pressure. It is the generalized gradient approximation (GGA) within the framework of density functional theory (DFT) was employed by means of a simulation program, which is called CASTEP. Under different pressure (P = 0, 2, and 4 GPa). Geometry optimized parameters were calculated for the nanosheet. The optical data alter in accordance with high pressure. The increase of pressure in the nanosheet led to a rise in p = 4 GPa and a decline in p = 2 GPa of the optical energy band gap, the static dielectric constant 𝜀 1 (0), and optical conductivity. The discussions of the real 𝜀 1 (𝜔) and imaginary 𝜀 2 (𝜔) sections of the dielectric function, optical band gap energy, optical absorption, and optical conductivity were included.
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