Molecular dynamics simulations of CH+ ions interaction with silicon carbide

Lu, Xionggang; Qin, Yong-Mei; Ning, Jian; Zhou, Tong; Deng, Chaoyong; Meng, Ch.; Qiu, Qi; Zhang, Chuanwu; Yan, Ying; Jiang, Ming; Gou, Fujun

doi:10.1016/j.nimb.2009.06.058

Nuclear Instruments and Methods in Physics Research Section B:

2009

DOI: 10.1016/j.nimb.2009.06.058

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Molecular dynamics simulations of CH+ ions interaction with silicon carbide

Xionggang Lu

Yong-Mei Qin

Jian Ning

et al.

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Cited by 2 publications

References 13 publications

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Energy and spectrum of BeO molecule under the electric field from different directions

Ming¹,

Gou²,

Anying³

et al. 2010

Acta Phys. Sin.

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Based on the density functional theory DFT/ B3LYP at 6-311g level, the ground states of BeO molecule are optimized. The effects of electric field on the bond length, the system energy, the charge distribution, the energy levels, the HOMO-LUMO gaps and the infrared spectrum of BeO molecule are studied. The results indicate that the bond length of BeO molecule increass,but the system energy decreases as the external electric field increases from 0.0 to 0.05 a.u. At the same time, the energy gaps between the HOMO and LUMO become separated with the increase of electric field. It shows that the structure of BeO molecule is steady under external electric field so that oxygen atom in BeO is difficult to combine with hydrogen atom escaping from the reactor.

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Energy and spectrum of BeO molecule under the electric field from different directions

Ming¹,

Gou²,

Anying³

et al. 2010

Acta Phys. Sin.

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Molecular dynamics study of interaction between the H atoms and Si surface

Chuan¹,

Cheng-Li²,

Gou³

et al. 2013

Acta Phys. Sin.

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In this paper, molecular dynamics simulation is used to study the interactions between H atoms and the crystalline Si surface when H atoms bombard the Si surface in different incident energies. The results show that the adsorption rate of H atoms first increases and then reaches an equilibrium value with the increase of incident energy, which is consistent with the experimental results. The results also reveal that the H atoms are deposited on the Si surface, forming hydrogenated amorphous silicon film. The etching products (H2, SiH2, SiH3 and SiH4) influence the adsorption rate of H atoms, and determine the surface roughness of the hydrogenated amorphous silicon film. The surface roughness reaches a minimal value when the incident energy is 1 eV. However, both the yield and the distribution of the composition (SiH, SiH2, SiH3) in the hydrogenated amorphous silicon film change with the increase of incident energy.

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Molecular dynamics simulations of CH+ ions interaction with silicon carbide

Cited by 2 publications

References 13 publications

Energy and spectrum of BeO molecule under the electric field from different directions

Energy and spectrum of BeO molecule under the electric field from different directions

Molecular dynamics study of interaction between the H atoms and Si surface

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