分子动力学模拟H原子与Si的表面相互作用

柯川; 赵成利; 苟富均; 赵勇

doi:10.7498/aps.62.165203

摘要

通过分子动力学模拟了入射能量对H原子与晶Si表面相互作用的影响. 通过模拟数据与实验数据的比较, 得到H原子吸附率随入射量的增加呈先增加后趋于平衡的趋势. 沉积的H原子在Si表面形成一层氢化非晶硅薄膜, 刻蚀产物(H2, SiH2, SiH3和SiH4)对H原子吸附率趋于平衡有重要影响, 并且也决定了样品的表面粗糙度. 当入射能量为1 eV时, 样品表面粗糙度最小. 随着入射能量的增加, 氢化非晶硅薄膜中各成分(SiH, SiH2, SiH3)的量以及分布均有所变化.

关键词:

Abstract

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.

Keywords:

作者及机构信息

1.
西南交通大学超导与新能源研究开发中心, 材料先进技术教育部重点实验室, 成都 610031;

2.
贵州大学理学院, 等离子体与器壁相互作用研究所, 贵阳 550025;

3.
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

基金项目: 国际热核聚变实验堆(ITER)计划专项(批准号: 2009GB104006)和贵州省优秀青年科技人才培养计划(批准号: 700968101)资助的课题.

Authors and contacts

1.
Key Laboratory of Advanced Technology of Materials, Ministry of Education, Superconductivity and New Energy Research and Development Center, Southwest Jiaotong University, Chengdu 610031, China;

2.
Institute of Plasma Surface Interactions, College of Science, Guizhou University, Guiyang 550025, China;

3.
Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China

Funds: Project supported by International Thermonuclear Experimental Reactor (ITER) Program (Grant No. 2009GB104006) and the Outstanding Young Scientific and Technological Personnel Training Program of Guizhou Province, China (Grant No.700968101).

参考文献

[1]	Michael A L, Allan J L 2007 Principles of Plasma Discharges and Materials Processing (Beijing: Science Press) pp481-501 (in Chinese) [迈克尔 A. 力伯曼, 阿伦 J. 里登伯格 2007 等离子体放电原理与材料处理(北京: 科学出版社)第481-501页]
[2]	Zhao H Q 1993 Plasma Chemisty and Processing (Hefei: Press of University of Science and Technology of China) pp73-89 (in Chinese) [赵化侨 1993 等离子体化学与工艺(合肥: 中国科学技术大学出版社) 第73-89页]
[3]	Boland J J 1990 Phys. Rev. Lett. 65 3325
[4]	Pangal K, Sturm J C, Wagner S, Byklimanli T H 1999 J. Appl. Phys. 85 1900
[5]	Gou F, Neyts E, Eckert M, Tinck S, Bogaerts A 2010 J. Appl. Phys. 107 113305
[6]	Gou F, Chuanliang M, Zhouling Z T, Qian Q 2007 Appl. Surf. Sci. 253 8517
[7]	Zhang Z, Dai Y, Yu L, Guo M, Huang B, Whangbo M H 2012 Nanoscale 4 1592
[8]	Zhang Z, Dai Y, Huang B, Whangbo M H 2010 Appl. Phys. Lett 96 062505
[9]	He P N, Ning J P, Qin Y M, Zhao C L, Gou F J 2011 Acta Phys. Sin. 60 045209 (in Chinese) [贺平逆, 宁建平, 秦尤敏, 赵成利, 苟富均 2011 60 045209]
[10]	Ning J P, L X D, Zhao C L, Qin Y M, He P N, Bogaerts A, Gou F J 2010 Acta Phys. Sin. 59 7225 (in Chinese) [宁建平, 吕晓丹, 赵成利, 秦尤敏, 贺平逆, Bogaerts A, 苟富君 2010 59 7225]
[11]	Ramalingam S, Maroudas D, Aydil E S 1998 J. Appl. Phys. 84 3895
[12]	Sriraman S, Agarwal S, Aydil E S, Maroudas D 2002 Nature 418 62
[13]	Ramalingam S, Maroudas D, Aydil E S 1998 Appl. Phys. Lett. 72 578
[14]	Oura K, Yamane J, Umezawa K, Naitoh M, Shoji F, Hanawa T 1990 Phys. Rev. B 41 1200
[15]	Oura K, Naitoh M, Shoji F, Yamane J, Umezawa K, Hanawa T 1990 Nucl. Instrum. Meth. Phys. Res. B 45 199
[16]	Ohira T, Ukai O, Adachi T, Takeuch i Y, Murata M 1995 Phys. Rev. B 52 8283
[17]	Tersoff J 1988 Phys. Rev. B 37 6991
[18]	Tersoff J 1988 Phys. Rev. B 38 9902
[19]	Tersoff J 1989 Phys. Rev. B 39 5566
[20]	Gou F, Chen L Z T, Meng C, Qian Q 2007 Appl. Phys. A 88 385
[21]	Gou F, Gleeson M A, Kleyn A W 2007 Surf. Sci. 601 4250
[22]	Berendsen H J C, Postma J PM, van Gunsteren WF, DiNola A, Haak J R 1984 J. Chem. Phys. 81 3684
[23]	Gou F, Meng C L, Zhouling Z T, Qian Q 2007 Appl. Surf. Sci. 253 8517
[24]	Lu X, Ning J, Qin Y, Qiu Q, Chuanwu Z, Ying Y, Ming J, Gou F 2009 Nucl. Instrum. Methods Phys. Res. Sect. B 267 3242

施引文献

[1]	Michael A L, Allan J L 2007 Principles of Plasma Discharges and Materials Processing (Beijing: Science Press) pp481-501 (in Chinese) [迈克尔 A. 力伯曼, 阿伦 J. 里登伯格 2007 等离子体放电原理与材料处理(北京: 科学出版社)第481-501页]
[2]	Zhao H Q 1993 Plasma Chemisty and Processing (Hefei: Press of University of Science and Technology of China) pp73-89 (in Chinese) [赵化侨 1993 等离子体化学与工艺(合肥: 中国科学技术大学出版社) 第73-89页]
[3]	Boland J J 1990 Phys. Rev. Lett. 65 3325
[4]	Pangal K, Sturm J C, Wagner S, Byklimanli T H 1999 J. Appl. Phys. 85 1900
[5]	Gou F, Neyts E, Eckert M, Tinck S, Bogaerts A 2010 J. Appl. Phys. 107 113305
[6]	Gou F, Chuanliang M, Zhouling Z T, Qian Q 2007 Appl. Surf. Sci. 253 8517
[7]	Zhang Z, Dai Y, Yu L, Guo M, Huang B, Whangbo M H 2012 Nanoscale 4 1592
[8]	Zhang Z, Dai Y, Huang B, Whangbo M H 2010 Appl. Phys. Lett 96 062505
[9]	He P N, Ning J P, Qin Y M, Zhao C L, Gou F J 2011 Acta Phys. Sin. 60 045209 (in Chinese) [贺平逆, 宁建平, 秦尤敏, 赵成利, 苟富均 2011 60 045209]
[10]	Ning J P, L X D, Zhao C L, Qin Y M, He P N, Bogaerts A, Gou F J 2010 Acta Phys. Sin. 59 7225 (in Chinese) [宁建平, 吕晓丹, 赵成利, 秦尤敏, 贺平逆, Bogaerts A, 苟富君 2010 59 7225]
[11]	Ramalingam S, Maroudas D, Aydil E S 1998 J. Appl. Phys. 84 3895
[12]	Sriraman S, Agarwal S, Aydil E S, Maroudas D 2002 Nature 418 62
[13]	Ramalingam S, Maroudas D, Aydil E S 1998 Appl. Phys. Lett. 72 578
[14]	Oura K, Yamane J, Umezawa K, Naitoh M, Shoji F, Hanawa T 1990 Phys. Rev. B 41 1200
[15]	Oura K, Naitoh M, Shoji F, Yamane J, Umezawa K, Hanawa T 1990 Nucl. Instrum. Meth. Phys. Res. B 45 199
[16]	Ohira T, Ukai O, Adachi T, Takeuch i Y, Murata M 1995 Phys. Rev. B 52 8283
[17]	Tersoff J 1988 Phys. Rev. B 37 6991
[18]	Tersoff J 1988 Phys. Rev. B 38 9902
[19]	Tersoff J 1989 Phys. Rev. B 39 5566
[20]	Gou F, Chen L Z T, Meng C, Qian Q 2007 Appl. Phys. A 88 385
[21]	Gou F, Gleeson M A, Kleyn A W 2007 Surf. Sci. 601 4250
[22]	Berendsen H J C, Postma J PM, van Gunsteren WF, DiNola A, Haak J R 1984 J. Chem. Phys. 81 3684
[23]	Gou F, Meng C L, Zhouling Z T, Qian Q 2007 Appl. Surf. Sci. 253 8517
[24]	Lu X, Ning J, Qin Y, Qiu Q, Chuanwu Z, Ying Y, Ming J, Gou F 2009 Nucl. Instrum. Methods Phys. Res. Sect. B 267 3242

[1]	翟世铭, 廖黄盛, 周耐根, 黄海宾, 周浪. a-Si:H薄膜中Si_yH_x结构组态的原子模拟研究. , 2020, 69(7): 076801. doi: 10.7498/aps.69.20191275
[2]	王建国, 杨松林, 叶永红. 样品表面银膜的粗糙度对钛酸钡微球成像性能的影响. , 2018, 67(21): 214209. doi: 10.7498/aps.67.20180823
[3]	张冉, 常青, 李桦. 气体-表面相互作用的分子动力学模拟研究. , 2018, 67(22): 223401. doi: 10.7498/aps.67.20181608
[4]	宋延松, 杨建峰, 李福, 马小龙, 王红. 基于杂散光抑制要求的光学表面粗糙度控制方法研究. , 2017, 66(19): 194201. doi: 10.7498/aps.66.194201
[5]	程广贵, 张忠强, 丁建宁, 袁宁一, 许多. 石墨表面熔融硅的润湿行为研究. , 2017, 66(3): 036801. doi: 10.7498/aps.66.036801
[6]	宋永锋, 李雄兵, 史亦韦, 倪培君. 表面粗糙度对固体内部超声背散射的影响. , 2016, 65(21): 214301. doi: 10.7498/aps.65.214301
[7]	陈苏婷, 胡海锋, 张闯. 基于激光散斑成像的零件表面粗糙度建模. , 2015, 64(23): 234203. doi: 10.7498/aps.64.234203
[8]	王宇翔, 陈硕. 微粗糙结构表面液滴浸润特性的多体耗散粒子动力学研究. , 2015, 64(5): 054701. doi: 10.7498/aps.64.054701
[9]	惠治鑫, 贺鹏飞, 戴瑛, 吴艾辉. 硅功能化石墨烯热导率的分子动力学模拟. , 2014, 63(7): 074401. doi: 10.7498/aps.63.074401
[10]	常旭. 多层石墨烯的表面起伏的分子动力学模拟. , 2014, 63(8): 086102. doi: 10.7498/aps.63.086102
[11]	周耐根, 胡秋发, 许文祥, 李克, 周浪. 硅熔化特性的分子动力学模拟–-不同势函数的对比研究. , 2013, 62(14): 146401. doi: 10.7498/aps.62.146401
[12]	曹洪, 黄勇, 陈素芬, 张占文, 韦建军. 脉冲敲击技术对PI微球表面粗糙度的影响. , 2013, 62(19): 196801. doi: 10.7498/aps.62.196801
[13]	兰惠清, 徐藏. 掺硅类金刚石薄膜摩擦过程的分子动力学模拟. , 2012, 61(13): 133101. doi: 10.7498/aps.61.133101
[14]	黄晓玉, 程新路, 徐嘉靖, 吴卫东. Be原子在Be基底上的沉积过程研究. , 2012, 61(9): 096801. doi: 10.7498/aps.61.096801
[15]	马颖. 非晶态石英的变电荷分子动力学模拟. , 2011, 60(2): 026101. doi: 10.7498/aps.60.026101
[16]	刘美林, 张宗宁, 李蔚, 赵骞, 祁阳, 张林. MgO（001）表面上沉积MgO薄膜过程的分子动力学模拟. , 2009, 58(13): 199-S203. doi: 10.7498/aps.58.199
[17]	廖乃镘, 李伟, 蒋亚东, 匡跃军, 祁康成, 李世彬, 吴志明. 椭偏透射法测量氢化非晶硅薄膜厚度和光学参数. , 2008, 57(3): 1542-1547. doi: 10.7498/aps.57.1542
[18]	周炳卿, 刘丰珍, 朱美芳, 周玉琴, 吴忠华, 陈兴. 微晶硅薄膜的表面粗糙度及其生长机制的X射线掠角反射研究. , 2007, 56(4): 2422-2427. doi: 10.7498/aps.56.2422
[19]	侯海虹, 孙喜莲, 申雁鸣, 邵建达, 范正修, 易葵. 电子束蒸发氧化锆薄膜的粗糙度和光散射特性. , 2006, 55(6): 3124-3127. doi: 10.7498/aps.55.3124
[20]	罗志, 林璇英, 林舜辉, 余楚迎, 林揆训, 余云鹏, 谭伟锋. 氢化非晶硅薄膜中氢含量及键合模式的红外分析. , 2003, 52(1): 169-174. doi: 10.7498/aps.52.169

计量

文章访问数: 7311
PDF下载量: 547
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

搜索

留言板