样品温度对Ar+与SiC样品表面相互影响的分子动力学模拟

核聚变与等离子体物理 ›› 2010, Vol. 30 ›› Issue (4): 317-322.

样品温度对Ar+与SiC样品表面相互影响的分子动力学模拟

孙伟中，赵成利，刘华敏，张浚源，吕晓丹，潘宇东，苟富均

(1. 四川大学原子核科学技术研究所，辐射物理及技术教育部重点实验室，成都 610064； 2. 贵州大学等离子体与材料表面作用研究所，贵阳 550025； 3. 核工业西南物理研究院，成都 610041；4. 荷兰皇家科学院等离子体所，荷兰 2300)

收稿日期:2010-05-13 修回日期:2010-09-14 出版日期:2010-12-15 发布日期:2011-01-26
作者简介:孙伟中(1986-)，男，江苏盐城人，硕士研究生，主要从事等离子体与材料表面相互作用的研究。
基金资助:
国际热核聚变实验堆(ITER)计划专项资助项目(2009GB104006)；贵州省优秀青年科技人才培养计划资助项目(700968101)

Molecular dynamics simulation of the effects of the samples’ temperature on Ar⁺ interactions with SiC surface

SUN Wei-zhong1, ZHAO Cheng-li2, LIU Hua-min1, ZHANG Jun-yuan1, LÜ Xiao-dan2, PAN Yu-dong3, GOU Fu-jun1, 4

(1. Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064; 2. Institute of Plasma Surface Interactions, Guizhou University, Guiyang 550025; 3. Southwestern Institute of Physics, Chengdu 610041; 4. FOM Institute for Plasma Physics, 3439 MN Nieuwegein, Netherlands)

Received:2010-05-13 Revised:2010-09-14 Online:2010-12-15 Published:2011-01-26

摘要/Abstract

摘要：

采用分子动力学模拟方法研究了样品温度对Ar⁺与SiC样品表面相互作用的影响。由模拟结果可知，SiC样品中Si原子的溅射产额随着温度的升高而增加，而温度对C原子的溅射产额影响不大。在相同温度下，Si原子的溅射产额要高于C原子的溅射产额。溅射出来的Si原子和C原子主要来源于样品的表层区域，样品中的Si和C原子密度、键密度及它们的成键方式也发生了较大的变化。初始样品中Si和C原子的密度是均匀的，而被轰击过后的样品表面Si原子的密度要高于C原子，而样品中部C原子的密度要高于Si原子。初始样品都是Si-C键，成键方式为Si-C_sp3；被轰击过后又有Si-Si和C-C键，成键方式也发生了变化，还有Si-C_sp1和Si-C_sp2。

关键词: 分子动力学, SiC, 溅射, 密度

Abstract:

Molecular dynamics simulations were performed to investigate the effects of surface temperature on Ar⁺ interactions with the SiC surface. The simulation results show that the number of Si atoms removed increases with increasing surface temperature, while the number of C atoms removed slightly changes. The sputtering yield of Si atoms is greater than that of C atoms. It is found that most of Si and C atoms removed come from the surface region. After modified by Ar⁺ ions, a Si-rich amorphous layer is formed.

Key words: Molecular dynamics, SiC, Sputtering, Density

中图分类号:

TL62+7

孙伟中，赵成利，刘华敏，张浚源，吕晓丹，潘宇东，苟富均. 样品温度对Ar+与SiC样品表面相互影响的分子动力学模拟[J]. 核聚变与等离子体物理, 2010, 30(4): 317-322.

SUN Wei-zhong, ZHAO Cheng-li, LIU Hua-min, ZHANG Jun-yuan, Lü Xiao-dan, PAN Yu-dong, GOU Fu-jun. Molecular dynamics simulation of the effects of the samples’ temperature on Ar⁺ interactions with SiC surface[J]. NUCLEAR FUSION AND PLASMA PHYSICS, 2010, 30(4): 317-322.

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