Molecular dynamics study of anisotropic growth of silicon

doi:10.1088/1674-1056/25/7/078109

Abstract Based on the Tersoff potential, molecular dynamics simulations have been performed to investigate the kinetic coefficients and growth velocities of Si (100), (110), (111), and (112) planes. The sequences of the kinetic coefficients and growth velocities are μ₍₁₀₀₎> μ₍₁₁₀₎> μ₍₁₁₂₎ > μ₍₁₁₁₎ and v₍₁₀₀₎> v₍₁₁₀₎ > v₍₁₁₂₎ > v₍₁₁₁₎, respectively, which are not consistent with the sequences of the interface energies, interplanar spacings, and melting points of the four planes. However, they agree well with the sequences of the distributions and diffusion coefficients of the melting atoms near the solid-liquid interfaces. It indicates that the atomic distributions and diffusion coefficients affected by the crystal orientations determine the anisotropic growth of silicon. The formation of stacking fault structure will further decrease the growth velocity of the Si (111) plane.

Keywords: anisotropy growth kinetic coefficient silicon molecular dynamics

Received: 24 January 2016
Revised: 08 March 2016
Accepted manuscript online:

PACS:	81.10.-h	(Methods of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)
	81.10.Aj	(Theory and models of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)
	87.10.Tf	(Molecular dynamics simulation)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 51361022, 51561022, and 61464007) and the Natural Science Foundation of Jiangxi Province, China (Grant No. 20151BAB206001).

Corresponding Authors: Lang Zhou
E-mail: lzhou@ncu.edu.cn

Cite this article:

Naigen Zhou(周耐根), Bo Liu(刘博), Chi Zhang(张弛), Ke Li(李克), Lang Zhou(周浪) Molecular dynamics study of anisotropic growth of silicon 2016 Chin. Phys. B 25 078109

[1]	Li J M, Chong M, Zhu J C, Li Y J, Xu J D, Wang P D, Shang Z Q, Yang Z K, Zhu R H and Cao X L 1992 Appl. Phys. Lett. 60 2240
[2]	Sarti D and Einhaus R 2002 Sol. Energy Mater. Sol. Cells 72 27
[3]	Würzner S, Helbig R, Funke C and Möller H J 2010 J. Appl. Phys. 108 083516
[4]	Stokkan G 2010 Acta Mater. 58 3223
[5]	Wang H Y, Usami, Fujiwara K, Kutuskake and Nakajima K 2009 Acta Mater. 57 3268
[6]	Usami N, Yokoyama R, Takahashi I, Kutsukake K, Fujiwara K and Nakajima K 2010 J. Appl. Phys. 107 013511
[7]	Fujiwara K, Obinata Y, Ujihara T, Usami N, Sazaki G and Nakajima K 2004 J. Cryst. Growth 266 441
[8]	Fujiwara K, Fukuda H, Usami N, Nakajima K and Uda S 2010 Phys. Rev. B 81 224106
[9]	Yang X B, Fujuwara K, Gotoh R, Maeda K, Nozawa J, Koizumi H and Uda S 2010 Appl. Phys. Lett. 97 172104
[10]	Fujiwara K 2012 Int. J. Photoenergy 30 311
[11]	Hoyt J J and Asta M 2002 Phys. Rev. B 65 392
[12]	Ashkenazy Y and Averback R S 2010 Acta Mater. 58 524
[13]	Sun D Y and Hoyt J J 2004 Phys. Rev. B 69 1129
[14]	Majeed A and Laird B B 2006 Phys. Rev. Lett. 97 216102
[15]	Monk J, Yang Y, Mendelev M I, Asta M, Hoyt J J and Sun D Y 2010 Modell. Simul. Mater. Sci. Eng. 18 317
[16]	Apte P A and Zeng X C 2008 Appl. Phys. Lett. 92 221903
[17]	Hoyt J J, Asta M and Karma A 2003 Mater. Sci. Eng. R 41 121
[18]	Davidchack R L and Larid B B 2005 J. Phys. Chem. B 109 17802
[19]	Zhang Y P, Lin X, Wei L, Peng D J, Wang M and Huang W D 2013 Acta Phys. Sin. 62 178105 (in Chinese)
[20]	Li M E, Xiao Z Y, Yang G C and Zhou Y H 2006 Chin. Phys. B 15 219
[21]	Hoyt J J, Sadigh B, Asta M and Foils S M 1999 Acta Mater. 47 3181
[22]	Broughton J, Gilmer G and Jackson K 1982 Phys. Rev. Lett. 49 1496
[23]	Tersoff J 1989 Phys. Rev. B 39 5566
[24]	Zhou N G, Hu Q F, Xu W X, Li K and Zhou L 2013 Acta Phys. Sin. 62 146401 (in Chinese)
[25]	Tersoff J 1986 Phys. Rev. Lett. 56 632
[26]	Tersoff J 1988 Phys. Rev. B 38 9902
[27]	Velet L 1967 Phys. Rev. 159 98
[28]	Lutsko J F, Wolf D, Phillpot S R and Yip S 1989 Phys. Rev. B 40 2841
[29]	Wang H L, Wang X X, Wang Y and Liang H Y 2006 Acta Phys. Chim. Sin. 22 1367 (in Chinese)
[30]	Husiman W J. Peter J F, Derks J W and Ficke H G 1997 Rev. Sci. Instrum. 68 4169
[31]	Celestini F and Debierre J M 2002 Phys. Rev. E 65 110
[32]	Hashibon A, Adler J, Finnis M W and Kaplan W D 2001 Comp. Mater. Sci. 24 443
[33]	Kob W 1998 J. Phys.: Condens. Matter 11 R85

[1]	Experiment and simulation on degradation and burnout mechanisms of SiC MOSFET under heavy ion irradiation Hong Zhang(张鸿), Hongxia Guo(郭红霞), Zhifeng Lei(雷志锋), Chao Peng(彭超), Zhangang Zhang(张战刚), Ziwen Chen(陈资文), Changhao Sun(孙常皓), Yujuan He(何玉娟), Fengqi Zhang(张凤祁), Xiaoyu Pan(潘霄宇), Xiangli Zhong(钟向丽), and Xiaoping Ouyang(欧阳晓平). Chin. Phys. B, 2023, 32(2): 028504.
[2]	Molecular dynamics study of interactions between edge dislocation and irradiation-induced defects in Fe–10Ni–20Cr alloy Tao-Wen Xiong(熊涛文), Xiao-Ping Chen(陈小平), Ye-Ping Lin(林也平), Xin-Fu He(贺新福), Wen Yang(杨文), Wang-Yu Hu(胡望宇), Fei Gao(高飞), and Hui-Qiu Deng(邓辉球). Chin. Phys. B, 2023, 32(2): 020206.
[3]	Formation of nanobubbles generated by hydrate decomposition: A molecular dynamics study Zilin Wang(王梓霖), Liang Yang(杨亮), Changsheng Liu(刘长生), and Shiwei Lin(林仕伟). Chin. Phys. B, 2023, 32(2): 023101.
[4]	Enhancement of holding voltage by a modified low-voltage trigger silicon-controlled rectifier structure for electrostatic discharge protection Yuankang Chen(陈远康), Yuanliang Zhou(周远良), Jie Jiang(蒋杰), Tingke Rao(饶庭柯), Wugang Liao(廖武刚), and Junjie Liu(刘俊杰). Chin. Phys. B, 2023, 32(2): 028502.
[5]	Adsorption dynamics of double-stranded DNA on a graphene oxide surface with both large unoxidized and oxidized regions Mengjiao Wu(吴梦娇), Huishu Ma(马慧姝), Haiping Fang(方海平), Li Yang(阳丽), and Xiaoling Lei(雷晓玲). Chin. Phys. B, 2023, 32(1): 018701.
[6]	Prediction of flexoelectricity in BaTiO₃ using molecular dynamics simulations Long Zhou(周龙), Xu-Long Zhang(张旭龙), Yu-Ying Cao(曹玉莹), Fu Zheng(郑富), Hua Gao(高华), Hong-Fei Liu(刘红飞), and Zhi Ma(马治). Chin. Phys. B, 2023, 32(1): 017701.
[7]	Sub-stochiometric MoO_x by radio-frequency magnetron sputtering as hole-selective passivating contacts for silicon heterojunction solar cells Xiufang Yang(杨秀芳), Shengsheng Zhao(赵生盛), Qian Huang(黄茜), Cao Yu(郁超), Jiakai Zhou(周佳凯), Xiaoning Liu(柳晓宁), Xianglin Su(苏祥林),Ying Zhao(赵颖), and Guofu Hou(侯国付). Chin. Phys. B, 2022, 31(9): 098401.
[8]	Improvement on short-circuit ability of SiC super-junction MOSFET with partially widened pillar structure Xinxin Zuo(左欣欣), Jiang Lu(陆江), Xiaoli Tian(田晓丽), Yun Bai(白云), Guodong Cheng(成国栋), Hong Chen(陈宏), Yidan Tang(汤益丹), Chengyue Yang(杨成樾), and Xinyu Liu(刘新宇). Chin. Phys. B, 2022, 31(9): 098502.
[9]	Effect of spatial heterogeneity on level of rejuvenation in Ni₈₀P₂₀ metallic glass Tzu-Chia Chen, Mahyuddin KM Nasution, Abdullah Hasan Jabbar, Sarah Jawad Shoja, Waluyo Adi Siswanto, Sigiet Haryo Pranoto, Dmitry Bokov, Rustem Magizov, Yasser Fakri Mustafa, A. Surendar, Rustem Zalilov, Alexandr Sviderskiy, Alla Vorobeva, Dmitry Vorobyev, and Ahmed Alkhayyat. Chin. Phys. B, 2022, 31(9): 096401.
[10]	Magnetic properties of oxides and silicon single crystals Zhong-Xue Huang(黄忠学), Rui Wang(王瑞), Xin Yang(杨鑫), Hao-Feng Chen(陈浩锋), and Li-Xin Cao(曹立新). Chin. Phys. B, 2022, 31(8): 087501.
[11]	Spatial correlation of irreversible displacement in oscillatory-sheared metallic glasses Shiheng Cui(崔世恒), Huashan Liu(刘华山), and Hailong Peng(彭海龙). Chin. Phys. B, 2022, 31(8): 086108.
[12]	A 4H-SiC trench MOSFET structure with wrap N-type pillar for low oxide field and enhanced switching performance Pei Shen(沈培), Ying Wang(王颖), and Fei Cao(曹菲). Chin. Phys. B, 2022, 31(7): 078501.
[13]	Effect of void size and Mg contents on plastic deformation behaviors of Al-Mg alloy with pre-existing void: Molecular dynamics study Ning Wei(魏宁), Ai-Qiang Shi(史爱强), Zhi-Hui Li(李志辉), Bing-Xian Ou(区炳显), Si-Han Zhao(赵思涵), and Jun-Hua Zhao(赵军华). Chin. Phys. B, 2022, 31(6): 066203.
[14]	Strengthening and softening in gradient nanotwinned FCC metallic multilayers Yuanyuan Tian(田圆圆), Gangjie Luo(罗港杰), Qihong Fang(方棋洪), Jia Li(李甲), and Jing Peng(彭静). Chin. Phys. B, 2022, 31(6): 066204.
[15]	Investigation of the structural and dynamic basis of kinesin dissociation from microtubule by atomistic molecular dynamics simulations Jian-Gang Wang(王建港), Xiao-Xuan Shi(史晓璇), Yu-Ru Liu(刘玉如), Peng-Ye Wang(王鹏业),Hong Chen(陈洪), and Ping Xie(谢平). Chin. Phys. B, 2022, 31(5): 058702.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Metrics
Related Articles

Molecular dynamics study of anisotropic growth of silicon

Cite this article:

Online attention