Ab initio study of vacancy and self-interstitial properties near single crystal silicon surfaces

Journal of Applied Physics

Volumn 111, Issue 8, 2012, Pages

  Kamiyama, Eiji ^a   Sueoka, Koji ^a   Vanhellemont, Jan ^b  

^a OKAYAMA PREFECTURAL UNIVERSITY   (Japan)

^b GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ATOMIC LAYER; COVALENT BONDING; CRYSTAL REGION; CRYSTAL SURFACES; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; INTRINSIC POINT DEFECTS; MACROSCOPIC MODEL; MICROSCOPIC MODELS; SELF-INTERSTITIAL; SI ATOMS; SI(0 0 1); SINGLE CRYSTAL SILICON; STRUCTURE MODELS; SUB-SURFACES; THERMAL-ANNEALING;

ATOMS; CRYSTAL GROWTH; DIFFUSION BARRIERS; POINT DEFECTS; SILICON; SILICON WAFERS; SINGLE CRYSTALS; VACUUM;

CRYSTAL STRUCTURE;

EID: 84860504638     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4703911     Document Type: Article

References (33)

1. V. V. Voronkov, J. Cryst. Growth 59, 625 (1982). 10.1016/0022-0248(82) 90386-4
2. S. Sadamitsu, S. Umeno, Y. Koike, M. Hourai, S. Sumita, and T. Shigematsu, Jpn. J. Appl. Phys. 32, 3675 (1993). 10.1143/JJAP.32.3675
3. H. Nishikawa, T. Tanaka, Y. Yanase, M. Hourai, M. Sano, and H. Tsuya, Jpn. J. Appl. Phys. 36, 6595 (1997). 10.1143/JJAP.36.6595
4. T. Sinno, R. A. Brown, W. von Ammon, and E. Dornberger, J. Electrochem. Soc. 145, 302 (1998). 10.1149/1.1838251
5. T. Saishoji, K. Nakamura, H. Nakajima, T. Yokoyama, F. Ishikawa, and J. Tomioka, High Purity Silicon V, edited by, V. C. L. Claeys, P. Rai-Choudhury, M. Watanabe, P. Stalhofer, and, H. J. Dawson, (Electrochemical Society, Pennington, NJ, 1998), p. 28.
6. M. Hourai, H. Nishikawa, T. Tanaka, S. Umeno, E. Asayama, T. Nomachi, and G. Kelly, Semiconductor Silicon, edited by, H. R. Huff, U. Gsele, and, H. Tsuya, (Electrochemical Society, Pennington, NJ, 1998), p. 453.
7. J. G. Park, G. S. Lee, J. M. Park, S. M. Chon, and H. K. Chung, Silicon Wafer Symposium (Portland, OR, 1998), p. E-1.
8. M. Akatsuka, M. Okui, S. Umeno, and K. Sueoka, J. Electrochem. Soc. 150, G587-G590 (2003). 10.1149/1.1599854
9. Y. Matsushita, M. Sanada, A. Tanabe, R. Takeda, N. Shimoi, and N. Kobayashi, Semiconductor Silicon, edited by, H. R. Huff, U. Gsele, and, H. Tsuya, (Electrochemical Society, Pennington, NJ, 1998), p. 683.
10. F. Dupret, P. Nicodeme, Y. Ryckmans, P. Wouters, and M. J. Crochet, Int. J. Heat Mass Transfer 33, 1849 (1990). 10.1016/0017-9310(90)90218-J
11. See http:www.femagsoft.com/ for more information on the FEMAG software and examples of application.
12. N. Adachi, T. Hisatomi, M. Sano, and H. Tsuya, Semiconductor Silicon, edited by, H.R. Huff, U. Gsele, and, H. Tsuya, (Electrochemical Society, Pennington, NJ, 1998), p. 698.
13. K. Nakamura, T. Saishoji, J. Tomioka, and T. Katayama, Defects in Silicon III, edited by, T. Abe, W. M. Bullis, S. Kobayashi, W. Lin, and, P. Wagner, (Electrochemical Society, Pennington, NJ, 1999), p. 468.
14. E. Kamiyama and K. Sueoka, J. Electrochem. Soc. 157, H323 (2010). 10.1149/1.3281184
15. T. Sinno, Semiconductor Silicon, edited by, H. R. Huff, L. Fabry, and, S. Kishino, (Electrochemical Society, Pennington, NJ, 2002), p. PV2002-2, 212.
16. K. Nakamura, T. Saishoji, T. Kubota, T. Iida, Y. Shimanuki, T. Kotooka, and J. Tomioka, J. Cryst. Growth 180, 61 (1997). 10.1016/S0022-0248(97)00206-6
17. T. Abe and T. Takahashi, J. Cryst. Growth 334, 16 (2011). 10.1016/j.jcrysgro.2011.07.027
18. J. Vanhellemont, J. Appl. Phys. 110, 063519 (2011); 10.1063/1.3641635 J. Vanhellemont, J. Appl. Phys. 110, 129903 (2011), and references therein. 10.1063/1.3674273
19. T. Motooka, K. Nishihira, R. Oshima, H. Nishizawa, and F. Hori, Phys. Rev. B 65, 081304 (2002). 10.1103/PhysRevB.65.081304
20. R. M. Tromp, R. J. Hamers, and J. E. Demuth, Phys. Rev. Lett. 55, 1303 (1985). 10.1103/PhysRevLett.55.1303
21. E. Kamiyama and K. Sueoka, J. Appl. Phys. 111, 013521 (2012). 10.1063/1.3676265
22. R. J. Hamers, R. M. Tromp, and J. E. Demuth, Phys. Rev. B 34, 5343 (1986). 10.1103/PhysRevB.34.5343
23. R. A. Wolkow, Phys. Rev. Lett. 68, 2636 (1992). 10.1103/PhysRevLett.68. 2636
24. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
25. W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140. A1133
26. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
27. B. Hammer, L. B. Hansen, and J. K. Norskov, Phys. Rev. B 59, 7413 (1999). 10.1103/PhysRevB.59.7413
28. The CASTEP code is available from Accelrys Software Inc.
29. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
30. T. Fischer and J. Almlof, J. Phys. Chem. 96, 9768 (1992). 10.1021/j100203a036
31. H. Monkhorst and J. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
32. R. S. Mulliken, J. Chem. Phys. 23, 1833-1846 (1955). 10.1063/1.1740588
33. N. Govind, M. Petersen, G. Fitzgerald, D. King-Smith, and J. Andzelm, Comput. Mater. Sci. 28, 250 (2003). 10.1016/S0927-0256(03)00111-3