Structural stability,electronic and optical properties of Ni-doped silicon nanowires are investigated by first-principles calculations based on the density functional theory. The results show that Ni can preferentially occupy substitutional sites near the surface of silicon nanowire. The doping of Ni atom in silicon nanowire introduces the impurity levels. The impurity level is mainly contributed by Ni 3d orbital. The decrease of the band gap results from the coupling of Ni 3d and Si 3p states. A strong absorption peak occurs in the low energy region of Ni-doped silicon nanowire,accompanied by the widening of the absorption band.

The inertia fluid model proposed by Yoshida et al. can only interpret the influence of ambient pressure on the average size of nanoparticles prepared by pulsed laser ablation. Basing on the model, the Maxwell velocity distribution of the initial ablated particles is considered, a new analytic expression of the size-distribution of nanoparticles is obtained. The simulation results are consistent with the statistic data from Yoshidas experiments under different He pressures. Additionally, the size-distribution of nanoparticles is simulated using the modified model under different ambient gases (He, Ne and Ar),the simulation results coincide with experimental data. The conclusions may serve as the basis for realizing the uniformity and controllability of Si nanoparticles.

In vacuum environment, the nano-crystalline silicon films were prepared by pulsed laser ablation at high temperature and room temperature respectively. The amorphous films prepared under normal temperature were thermal-annealed, which leads to crystallization. The morphology and compositon etc. of the samples were characterized by scanning electron microscopy, Raman scattering and X-ray diffraction. The results showed that the temperature threshold of Si nanoparticles formation was 700 ℃ and 850 ℃ respectively. The nucleation energy of the nanoparticles was obtained by quantitative calculation, and the reason of difference between the temperature threshold was discussed from the point of view of energy.

The transport dynamics of the ablated particles is simulated via Monte Carlo simulation. The influences of ambient gases (He, Ne, and Ar dummy gas) on velocity splitting of the ablated particles under 100 Pa are investigated. The results show that the velocity splitting appears in four types of gases. The formation times of velocity splitting of the ablated particles decrease in sequence of He, Ne, dummy gas and Ar. The influences of the mass and radius of ambient gas molecule on the velocity splitting are also investigated. The formation time of the velocity splitting decreases with mass/radius of ambient gas molecule increasing. The intensity is the smallest when the two velocity peak intensities are equal. The formation time of velocity splitting is explained by the underdamping oscillation model and the inertia fluid model. These results give a good foundation for the further study of the Si nanoparticle growth.

Silicon nitride films(SiN) are deposited by helicon-wave plasma-enhanced chemical vapour deposition(HWP-CVD) under the condition that a gas mixture of SiH4 and N2 is required.The influence of experimental parameters on the properties of the sample films is investigated.The parameters such as bond structure,thickness and refractivity of SiN films are measured by using Fourier transform infrared(FTIR) spectroscopy,ultraviolet-visible spectroscopy and ellipsometer detection technique.Results show that SiN films with a low hydrogen content can be prepared by HWP-CVD at a higher rate and lower substrate temperature,and the main bond mode in the deposited SiN films is Si—N stretching mode.At lower reactive gas pressure,the deposition rate is promoted and the density of the sample films increases.The appropriate increase in N2/SiH4 ratio is beneficial to the decrease of the H content in SiN films.