UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

doi:10.1088/1674-1056/23/3/034208

中国物理B ›› 2014, Vol. 23 ›› Issue (3): 34208-034208.doi: 10.1088/1674-1056/23/3/034208

• ELECTROMAGNETISM, OPTICS, ACOUSTICS, HEAT TRANSFER, CLASSICAL MECHANICS, AND FLUID DYNAMICS • 上一篇下一篇

UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

黄璐^a, 金晶^a, 史伟民^a, 袁志军^b, 杨伟光^a, 曹泽淳^a, 王林军^a, 周军^b, 楼祺洪^b

a School of Material Science and Engineering, Shanghai University, Shanghai 200072, China;
b Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Novel Laser Technique and Application System Laboratory, Shanghai 201800, China

收稿日期:2013-05-28 修回日期:2013-08-22 出版日期:2014-03-15 发布日期:2014-03-15
基金资助:
Project supported by the Shanghai Leading Academic Disciplines, China (Grant No. S30107).

UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

Huang Lu (黄璐)^a, Jin Jing (金晶)^a, Shi Wei-Min (史伟民)^a, Yuan Zhi-Jun (袁志军)^b, Yang Wei-Guang (杨伟光)^a, Cao Ze-Chun (曹泽淳)^a, Wang Lin-Jun (王林军)^a, Zhou Jun (周军)^b, Lou Qi-Hong (楼祺洪)^b

a School of Material Science and Engineering, Shanghai University, Shanghai 200072, China;
b Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Novel Laser Technique and Application System Laboratory, Shanghai 201800, China

Received:2013-05-28 Revised:2013-08-22 Online:2014-03-15 Published:2014-03-15
Contact: Huang Lu E-mail:huanglu@shu.edu.cn
Supported by:
Project supported by the Shanghai Leading Academic Disciplines, China (Grant No. S30107).

摘要/Abstract

摘要： The effect of laser energy density on the crystallization of hydrogenated intrinsic amorphous silicon (a-Si:H) thin films was studied both theoretically and experimentally. The thin films were irritated by a frequency-doubled (λ=532 nm) Nd:YAG pulsed nanosecond laser. An effective density functional theory model was built to reveal the variation of bandgap energy influenced by thermal stress after laser irradiation. Experimental results establish correlation between the thermal stress and the shift of transverse optical peak in Raman spectroscopy and suggest that the relatively greater shift of the transverse optical (TO) peak can produce higher stress. The highest crystalline fraction (84.5%) is obtained in the optimized laser energy density (1000 mJ/cm²) with a considerable stress release. The absorption edge energy measured by the UV-visible spectra is in fairly good agreement with the bandgap energy in the density functional theory (DFT) simulation.

关键词: laser crystallization, UV-visible spectra, density functional theory simulation

Abstract: The effect of laser energy density on the crystallization of hydrogenated intrinsic amorphous silicon (a-Si:H) thin films was studied both theoretically and experimentally. The thin films were irritated by a frequency-doubled (λ=532 nm) Nd:YAG pulsed nanosecond laser. An effective density functional theory model was built to reveal the variation of bandgap energy influenced by thermal stress after laser irradiation. Experimental results establish correlation between the thermal stress and the shift of transverse optical peak in Raman spectroscopy and suggest that the relatively greater shift of the transverse optical (TO) peak can produce higher stress. The highest crystalline fraction (84.5%) is obtained in the optimized laser energy density (1000 mJ/cm²) with a considerable stress release. The absorption edge energy measured by the UV-visible spectra is in fairly good agreement with the bandgap energy in the density functional theory (DFT) simulation.

Key words: laser crystallization, UV-visible spectra, density functional theory simulation

中图分类号: (Laser applications)

42.62.-b

78.40.-q (Absorption and reflection spectra: visible and ultraviolet) 31.15.es (Applications of density-functional theory (e.g., to electronic structure and stability; defect formation; dielectric properties, susceptibilities; viscoelastic coefficients; Rydberg transition frequencies)) 81.40.Ef (Cold working, work hardening; annealing, post-deformation annealing, quenching, tempering recovery, and crystallization)

黄璐, 金晶, 史伟民, 袁志军, 杨伟光, 曹泽淳, 王林军, 周军, 楼祺洪. UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films[J]. 中国物理B, 2014, 23(3): 34208-034208.

Huang Lu (黄璐), Jin Jing (金晶), Shi Wei-Min (史伟民), Yuan Zhi-Jun (袁志军), Yang Wei-Guang (杨伟光), Cao Ze-Chun (曹泽淳), Wang Lin-Jun (王林军), Zhou Jun (周军), Lou Qi-Hong (楼祺洪). UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films[J]. Chin. Phys. B, 2014, 23(3): 34208-034208.

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UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

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