High-Pressure Electronic Structure and Optical Properties of N-Doped ZnO
- Autores: LingPing Xiao 1, Li X.2, Zeng L.3
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Afiliações:
- Jiangxi Science and Technology Normal University
- Jiangxi University of Technology
- AVIC Jiangxi Hongdu Aviation Industry Group Corporation Limited
- Edição: Volume 92, Nº 10 (2018)
- Páginas: 2003-2008
- Seção: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/170168
- DOI: https://doi.org/10.1134/S0036024418100382
- ID: 170168
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Resumo
The electronic structures and optical properties of N-doped ZnO under high pressure have been investigated using first-principles methods. The pressure effects on the lattice parameters, electronic band structures, and partial density of states (PDOS) of crystalline N-doped ZnO are calculated up to 8 GPa. The lattice parameters a, and c are decreases by 0.062 and 0.091 Å, respectively. Moreover, the evolution of the dielectric function, absorption coefficient (α(ω)), reflectivity (R(ω)), and the real part of the refractive index (n(ω)) at high pressure are also presented.
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Sobre autores
LingPing Xiao
Jiangxi Science and Technology Normal University
Autor responsável pela correspondência
Email: xiaolingping1982@163.com
República Popular da China, Nanchang, 330013
XiaoBin Li
Jiangxi University of Technology
Email: xiaolingping1982@163.com
República Popular da China, Nanchang, 330098
Li Zeng
AVIC Jiangxi Hongdu Aviation Industry Group Corporation Limited
Email: xiaolingping1982@163.com
República Popular da China, Nanchang, 330093