First principles calculations of optical properties of the armchair SiC nanoribbons with O, F and H termination

Pramana: Journal of physics

DAO-BANG LU^1,2¹  YU-LING SONG^3³ 

[1] College of Mechanical and Electronic Engineering, Nanyang Normal University, Nanyang 473061, China^1;College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061, China^3;Henan Engineering Laboratory of Petroleum Equipment Intelligent Control, Nanyang 473061, China^2

关键词: First-principles;    optical properties;    termination;    SiC nanoribbon;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

Based on density functional theory, we perform first-principles investigations to study the optical properties of the O-, F- and H-terminated SiC nanoribbons with armchair edges (ASiCNRs). By irradiating with an external electromagnetic field, we calculate the dielectric function, reflection spectra, energy loss coefficientand the real part of the conductance. It is demonstrated that the optical constants are sensitive to the low-energy range, different terminal atoms do not make much difference in the shape of the curves of the optical constants for the same-width ASiCNR, and the optical constants of wider nanoribbons usually have higher peaks than that of the narrower ones in low energy range. We hope that our study helps in experimental technology of fabricating high-quality SiC-based nanoscale photoelectric device.

【 授权许可】

CC BY