Optical and electronic properties of zigzag boron nitride nanotube (6,0): DFT study

被引：0
作者：
Mina Sotudeh
Arash Boochani
Sara Sadat Parhizgar
Seyedeh Razieh Masharian
机构：
[1] Islamic Azad University,Department of Physics, Faculty of Sciences, Science and Research Branch
[2] Islamic Azad University,Department of Physics, Kermanshah Branch
[3] Islamic Azad University,Department of Physics, Hamedan Branch
来源：
International Nano Letters | 2020年 / 10卷
关键词：
DFT; BN nanotube; Li impurity; Electronic; Optical property;
D O I：
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学科分类号：
摘要：
The optical and electronic properties of boron nitride nanotubes have been studied using the full potential linear augmented plane wave method in the framework of density functional theory. The electronic properties such as band structure and density of states have been investigated using the generalized gradient approximation. In addition, the optical parameters of boron nitride nanotube (6,0) have been investigated such as real and imaginary parts of the dielectric function, electron energy loss function, refractive index, extinction coefficient, and optical conductivity. The obtained values are in better agreement with the available experimental data.
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页码：293 / 301
页数：8
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