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

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.

Keywords: laser crystallization UV-visible spectra density functional theory simulation

Received: 28 May 2013
Revised: 22 August 2013
Accepted manuscript online:

PACS:	42.62.-b	(Laser applications)
	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)

Fund: Project supported by the Shanghai Leading Academic Disciplines, China (Grant No. S30107).

Corresponding Authors: Huang Lu
E-mail: huanglu@shu.edu.cn

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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 2014 Chin. Phys. B 23 034208

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

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