折射率
密度泛函理论
材料科学
单层
电介质
带隙
锑
平面的
介电函数
凝聚态物理
衰减系数
红外线的
光电子学
吸收(声学)
电子能带结构
六方晶系
电子结构
光学
计算化学
化学
纳米技术
物理
结晶学
计算机图形学(图像)
计算机科学
冶金
复合材料
作者
Deobrat Singh,Sanjeev K. Gupta,Yogesh Sonvane
摘要
We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.
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