Point defect diffusion in Si and SiGe revisited through atomistic simulations

Materials Science in Semiconductor Processing

Volumn 15, Issue 6, 2012, Pages 675-690

  Pochet, Pascal ^a   Caliste, Damien ^a  

^a UNIV GRENOBLE ALPES   (France)

Author keywords

DFT calculations; Monte Carlo simulations; Point defect diffusion; Silicon; Strain effects

Indexed keywords

AB INITIO CALCULATIONS; ATOMISTIC CALCULATIONS; ATOMISTIC SIMULATIONS; CZOCHRALSKI SILICON; DEFECT DIFFUSION; DEFECT ENGINEERING; DFT CALCULATION; EXPERIMENTAL DETERMINATION; GE DIFFUSION; MIGRATION ENERGY; MONTE CARLO SIMULATION; PURE SILICON; STRAIN EFFECT; TEMPERATURE RANGE; VACANCY CONCENTRATION; VACANCY DIFFUSION; VACANCY MIGRATION; VACANCY-OXYGEN COMPLEXES;

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; GERMANIUM; MONTE CARLO METHODS; POINT DEFECTS; SILICON;

DIFFUSION;

EID: 84870056185     PISSN: 13698001     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mssp.2012.05.011     Document Type: Review

References (72)

1. P.M. Fahey, P.B. Griffin, and J.D. Plummer Reviews of Modern Physics 61 1989 289 384
2. S.M. Hu Materials Science and Engineering: R: Reports 13 1994 105 192
3. T. Sinno, E. Dornberger, W. von Ammon, R.A. Brown, and F. Dupret Materials Science and Engineering: R: Reports 28 2000 149 198
4. L. Shao, J. Liu, Q.Y. Chen, and W.-K. Chu Materials Science and Engineering: R: Reports 42 2003 65 114
5. M. Bruel Electronics Letters 31 1995 1201
6. M.L. David, M.F. Beaufort, and J.F. Barbot Journal of Applied Physics 93 2003 1438
7. R.C. Newman, and R. Jones F. Shimura, Oxygen in Silicon, Semiconductors and Semimetals vol. 42 1994 Academic Orlando 289
8. H. Ohno Science 281 1998 951
9. E. Arras, F. Lançon, I. Slipukhina, E. Prestat, M. Rovezzi, S. Tardif, A. Titov, P. Bayle-Guillemaud, F. d'Acapito, A. Barski, V. Favre-Nicolin, M. Jamet, J. Cibert, and P. Pochet Physical Review B 85 2012 115204
10. A. Spiesser, I. Slipukhina, M.-T. Dau, E. Arras, V. Le Thanh, L. Michez, P. Pochet, H. Saito, S. Yuasa, M. Jamet, and J. Derrien Physical Review B 84 2011 165203
11. I. Slipukhina, E. Arras, Ph. Mavropoulous, and P. Pochet Applied Physics Letters 94 2009 192505
12. E. Arras, I. Slipukhina, M. Torrent, D. Caliste, T. Deutsch, and P. Pochet Applied Physics Letters 96 2010 231904
13. M. Posselt, F. Gao, and D. Zwicker Physical Review B 71 2005 245202
14. M. Tang, L. Colombo, J. Zhu, and T. Diaz de la Rubia Physical Review B 55 1997 14279 14289
15. R.Y. Chen, and S.T. Dunham Physical Review B 83 2011 134124
16. F. El-Mellouhi, N. Mousseau, and L.J. Lewis Physical Review B 78 2008 153202
17. L.K. Beland, F. El-Mellouhi, J.-F. Joly, and N. Mousseau Physical Review E 84 2011 046704
18. A.B. Bortz, M.H. Kalos, and J.L. Lebowitz Journal of Computational Physics 17 1975 10
19. G.D. Watkins, and J.W. Corbett Physical Review 134 1964 A1359
20. H. Bracht Physica B 376-377 2006 11 18
21. S. Dannefaer, P. Mascher, and D. Kerr Physical Review Letters 56 1986 2195
22. G.D. Watkins, R. Troxell, A.P. Chatterjee, in: J.H. Albany (Ed), Defects and Radiation Effects in Semiconductors, The Institute of Physics Conference Series No. 46, 1978, p. 16.
23. F. El-Mellouhi, N. Mousseau, and P. Ordejon Physical Review B 70 2004 205202 and references therein
24. H. Bracht, J.F. Pedersen, N. Zangenberg, A.N. Larsen, E.E. Haller, G. Lulli, and M. Posselt Physical Review Letters 91 2003 245502
25. A. Seeger, and K.P. Chik Physica Status Solidi 29 1968 455
26. V. Ranki, and K. Saarinen Physical Review Letters 93 2004 255502
27. J.A. Van Vechten Physical Review B 33 1986 2674
28. D. Caliste, and P. Pochet Physical Review Letters 97 2006 135901
29. CPMD, Copyright IBM Corp 1990-2001, Copyright MPI für Festkörperforschung Stuttgart, 1997-2001.
30. C. Hartwigsen, S. Goedecker, and J. Hutter Physical Review B 58 1998 3641
31. M.I.J. Probert, and M.C. Payne Physical Review B 67 2003 075204
32. G. Henkelman, B.P. Uberuaga, and H. Jónsson Journal of Chemical Physics 113 2000 9901
33. G. Henkelman, and H. Jónsson Journal of Chemical Physics 113 2000 9978
34. P. Pulay Chemical Physics Letters 73 1980 393
35. G.D. Watkins, and J.W. Corbett Physical Review 138 1965 A543
36. G.S. Hwang, and W.A. Goddard III Physical Review B 65 2002 233205
37. D. Caliste, P. Pochet, T. Deutsch, and F. Lançon Physical Review B 75 2007 125203
38. Y. Bar-Yam, and J.D. Joannopoulos Physical Review Letters 52 1984 1129
39. P.E. Blöchl, E. Smargiassi, R. Car, D.B. Laks, W. Andreoni, and S.T. Pantelides Physical Review Letters 70 1993 2435
40. R.J. Needs Journal of Physics: Condensed Matter 11 1999 10437 10450
41. J. Vanhellemont, P. Śpiewak, and K. Sueoka Journal of Applied Physics 101 2007 036103
42. M.J. Aziz Materials Science in Semiconductor Processing 4 2001 397
43. N.E.B. Cowern, P.C. Zalm, P. van der Sluis, D.J. Gravesteijn, and W.B. de Boer Physical Review Letters 72 1994 2585
44. A.Y. Kuznetsov, J. Cardenas, D.C. Schmidt, B.G. Svensson, J.L. Hansen, and A.N. Larsen Physical Review B 59 1999 7274
45. N.E.B. Cowern, W.J. Kersten, R.C.M. de Kruif, J.G.M. van Berkum, W.B. de Boer, D.J. Gravesteijn, and C.W.T. Bulle-Liewma G.R. Srinivasan, C.S. Murthy, S.T. Dunham, Electrochemical Society Proceedings vol. 96-4 1999 Electrochemical Society Pennington NJ 195 209
46. D.B. Aubertine, M.A. Mander, N. Ozguven, A.F. Marshall, P.C. McIntyre, J.O. Chu, and P.M. Mooney Journal of Applied Physics 92 2002 5027
47. N.R. Zangenberg, J. Lundsgaard Hansen, J. Fage-Pedersen, and A. Nylandsted Larsen Physical Review Letters 87 2001 125901
48. D.B. Aubertine, and P.C. McIntyre Journal of Applied Physics 97 2005 013531
49. P. Kringhoj, A.N. Larsen, and S.Y. Shirayev Physical Review Letters 76 1996 3372
50. M.J. Aziz, Y. Zhao, H.-J. Gossmann, S. Mitha, S.P. Smith, and D. Schiferl Physical Review B 73 2006 054101
51. A. Strohm, T. Voss, W. Frank, P. Laitinen, and J. Räisänen Zeitschrift für Metallkunde 93 2002 737
52. H. Höhler, N. Atodiresei, K. Schroeder, R. Zeller, and P.H. Dederichs Physical Review B 71 2005 035212
53. H. Bracht, and A. Chroneos Journal of Applied Physics 104 2008 076108
54. R. Kube, H. Bracht, J. Lundsgaard Hansen, A. Nylandsted Larsen, E.E. Haller, S. Paul, and W. Lerch Journal of Applied Physics 107 2010 073520
55. J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal Journal of Physics: Condensed Matter 14 2002 2745
56. G.D. Watkins Physica Status Solidi A 186 2001 176
57. S.A. Centoni, B. Sadigh, G.H. Gilmer, T.J. Lenosky, T. Díaz de la Rubia, and C.B. Charles Physical Review B 72 2005 195206
58. A.F. Wright Physical Review B 74 2006 165116
59. K.Z. Rushchanskii, P. Pochet, and F. Lançon Applied Physics Letters 92 2008 152110
60. E. Machado-Charry, L.K. Beland, D. Caliste, L. Genovese, T. Deutsch, N. Mousseau, and P. Pochet Journal of Chemical Physics 135 2011 034102
61. M.S. Daw, W. Windl, N.N. Carlson, M. Laudon, and M.P. Masquelier Physical Review B 64 2001 045205
62. P. Ramanarayanan, K. Cho, B.M. Clemens, arXiv:cond-mat/0211072.
63. P. Ramanarayanan, K. Cho, and B.M. Clemens Journal of Applied Physics 94 2003 174 185
64. D. Caliste, K. Rushchanskii, and P. Pochet Applied Physics Letters 98 2011 031908
65. D.V. Makhov, and L.J. Lewis Physical Review B 72 2005 073306
66. K. Vollenweider, B. Sahli, and W. Fichtner Physical Review B 81 2010 174119
67. H. Bracht, E.E. Haller, and R. Clark-Phelps Physical Review Letters 81 1998 393 396
68. Y. Shimizu, M. Uematsu, and K.M. Itoh Physical Review Letters 98 2007 095901
69. C. Claeys, E. Simoen, V.B. Neimash, A. Kraitchinskii, M. Kras'ko, O. Puzenko, A. Blondeel, and P. Clauws Journal of the Electrochemical Society 146 2001 G738
70. A. Chroneos, C.A. Londos, E.N. Sgourou, and P. Pochet Applied Physics Letters 99 2011 241901
71. L. Genovese, A. Neelov, S. Goedecker, T. Deutsch, S.A. Ghasemi, A. Willand, D. Caliste, O. Zilberberg, M. Rayson, A. Bergman, and R. Schneider Journal of Chemical Physics 129 2008 014109 〈 http://inac.cea.fr/sp2m/L- Sim/BigDFT 〉
72. C.A. Londos, D. Aliprantis, E.N. Sgourou, A. Chroneos, and P. Pochet Journal of Applied Physics 111 2012 123508