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Chin. Phys. B, 2016, Vol. 25(7): 078109    DOI: 10.1088/1674-1056/25/7/078109

Molecular dynamics study of anisotropic growth of silicon

Naigen Zhou(周耐根)1, Bo Liu(刘博)1, Chi Zhang(张弛)1, Ke Li(李克)1, Lang Zhou(周浪)1,2
1 School of Materials Science and Engineering, Nanchang University, Nanchang 330031, China;
2 Institute of Photovoltaics, Nanchang University, Nanchang 330031, China
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      Published:  05 July 2016
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:

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
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