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Molecular Dynamics Simulation on the Behavior of Si(001) Vicinal Surface by Using Empirical Tersoff Potential  

Choi, Jung-Hae (Computational Science Center, Korea Institute of Science and Technology)
Cha, Pil-Ryung (School of Advanced Materials Engineering, Kookmin University)
Lee, Seung-Cheol (Computational Science Center, Korea Institute of Science and Technology)
Oh, Jung Soo (Computational Science Center, Korea Institute of Science and Technology)
Lee, Kwang-Ryeol (Computational Science Center, Korea Institute of Science and Technology)
Publication Information
Korean Journal of Metals and Materials / v.47, no.1, 2009 , pp. 32-37 More about this Journal
Abstract
Molecular dynamic simulations on the structural evolution of the Si(001) vicinal surfaces, which are tilted with respect to [100] and [110] directions were performed by using the empirical Tersoff potential. Tersoff potential was implemented at LAMMPS code and confirmed to describe the properties of Si. When the steps are generated along [100] direction, symmetric dimer rows formed with respect to the step edges. On the other hand, when the steps are generated along [110] direction, alternating dimer rows form with respect to the step edges. The configurational differences between the two vicinal surfaces were discussed in terms of the surface diffusion and the possibility of preventing step bunching for the (001) vicinal surface tilted along [100] direction was suggested.
Keywords
Si; (001) vicinal surface; molecular dynamic simulation; tersoff potential;
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1 W. Kim, H. Kim, G. Lee, Y. K. Hong, K. Lee, C. Hwang, D. H. Kim and J. Y. Koo, Phys. Rev. B 64, 193313 (2001)   DOI   ScienceOn
2 H. S. Kim, J. H. Suh and C. G. Park, J. Kor. Inst. Met. & Mater. 43, 68 (2005)
3 A. Wawro, S. Suto, R. Czajka and A. Kasuya, Nanotechnology 19, 205706 (2008)   DOI   ScienceOn
4 A. Ronda and I. Berbezier, Physica E 23, 370 (2004)   DOI   ScienceOn
5 Y. Bar-Yam and J. D. Joannopoulos, Phys. Rev. B 30, 1844 (1984)   DOI
6 R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985)   DOI   ScienceOn
7 A. Rota, A. Martinez-Gil, G. Agnus, E. Moyen, T. Maroutian, B. Bartenlian, R. Megy, M. Hanbucken and P. Beauvillain, Surf. Sci. 600, 1207 (2006)   DOI   ScienceOn
8 J. R. Power, P. Weightman, S. Bose, A. I. Shkrebtii and R. Del Sole, Surf. Sci. 433-435, 373 (1999)   DOI   ScienceOn
9 W. M. Yim and R. J. Paff, J. Appl. Phys. 45, 1456 (1974)   DOI
10 M. B. Webb, Surf. Sci. 299-300, 454 (1994)   DOI   ScienceOn
11 L. J. Porter, J. F. Justo and S. Yip, J. Appl. Phys. 82, 5378 (1997)   DOI   ScienceOn
12 J. Tersoff, Phys. Rev. B 39, 5566 (1989)   DOI   ScienceOn
13 X.-P. Li, D. M. Ceperley and R. M. Martin, Phys. Rev. B 44, 10929 (1991)   DOI   ScienceOn
14 D. Nguyen-Mahn, A. P. Horsefiled and S. L. Dudarev, Phys. Rev. B 73, 020101(R) (2006)   DOI   ScienceOn
15 H. Balamane, T. Halicioglu and W. A. Tiller, Phys. Rev. B 46, 2250 (1992)   DOI   ScienceOn
16 Y. Okada and Y. Tokumaru, J. Appl. Phys. 56, 314 (1984)   DOI   ScienceOn
17 L. Nurminen, F. Tavazza, D. P. Landau, A. Kuronen and K. Kaski, Phys. Rev. B 67, 035405 (2003)   DOI   ScienceOn
18 R. Car, Paul J. Kelly, A. Oshiyama, and S. T. Pantelides, Phys. Rev. Lett. 52, 1814 (1984)   DOI
19 S. Plimpton, LAMMPS, http://lammps.sandia.gov (2008)
20 C. Roland and G. H. Gilmer, Phys. Rev. B 66, 13437 (1992)   DOI   ScienceOn
21 G. A. Baraff and M. Schluter, Phys. Rev. B 30, 3460 (1984)   DOI
22 Y. Takahashi, H. Minoda, Y. Tanishiro and K. Yagi, Surf. Sci. 433-435, 512 (1999)   DOI   ScienceOn
23 H.-S. Dow, M. W. Oh, S. H. Song, M. C. Kim and D. M. Wee, J. Kor. Inst. Met. & Mater. 45, 383 (2007)
24 L. W. Guo, N. Lin, Q. Huang, J. M. Zhou and N. Cue, Appl. Surf. Sci.126, 213 (1998)   DOI   ScienceOn
25 A. Pimpinelli and J. Villain, Physics of crystal growth, Cambridge Univ. Press (1998)
26 H. J. W. Zandvliet, Rev. Modern Phys. 72, 593 (2000)   DOI   ScienceOn
27 J. Y. Koo, J. Y. Yi, C. Hwang, D. H. Kim, G. Lee and S. Lee, Phys. Rev. B 57, 8782 (1998)   DOI
28 S. H. Lee, KIST-LAMMPS, http://diamond.kist.re.kr/CSC (2006)