Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films

Journal of Applied Physics

Volumn 88, Issue 2, 2000, Pages 1129-1135

  Jager H U ^a   Albe, K ^b  

^a INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

^b University of Illinois at Urbana Champaign   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000511579     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.373787     Document Type: Article

References (44)

1. Amorphous Carbon: State of the Art, edited by S. R. P. Silva, J. Robertson, W. I. Milne, and G. A. Amaratunga (World Scientific, Singapore, 1998).
2. J. Ishikawa, Y. Takeiri, K. Ogawa, and T. Takagi, J. Appl. Phys. 61, 2509 (1987).
3. J.-P. Hirvonen, J. Koskinen, R. Lappalainen, and A. Anttila, Mater. Sci. Forum 52&53, 197 (1989).
4. Y. Lifshitz, G. D. Lempert, E. Grossmann, I. Avigal, C. Uzan-Saguy, R. Kalish, J. Kulik, D. Marton, and J. W. Rabalais, Diamond Relat. Mater. 4, 318 (1995).
5. D. R. McKenzie, D. Muller, and B. A. Pailthorpe, Phys. Rev. Lett. 67, 773 (1991).
6. P. J. Fallon, V. S. Veerasamy, C. A. Davis, J. Robertson, G. A. J. Amaratunga, W. I. Milne, and J. Koskinen, Phys. Rev. B 48, 4777 (1993).
7. M. Chhowalla, M. Weiler, C. A. Davis, B. Kleinsorge, and G. A. J. Amaratunga, Appl. Phys. Lett. 67, 894 (1995).
8. D. L. Pappas, K. L. Saenger, J. Bruley, W. Krakow, J. J. Cuomo, T. Gu, and R. W. Collins, J. Appl. Phys. 71, 5675 (1992).
9. H. Hofsäss, H. Feldermann, R. Merk, M. Sebastian, and C. Ronning, Appl. Phys. A: Mater. Sci. Process. 66, 153 (1998).
10. Y. Lifshitz, S. R. Kasi, and J. W. Rabalais, Phys. Rev. Lett. 62, 1290 (1989).
11. J. Robertson, Diamond Relat. Mater. 2, 984 (1993).
12. Th. Frauenheim, G. Jungnickel, Th. Koehler, P. Stich, and P. Blaudeck, in Ref. 1, pp. 59-72.
13. P. C. Kelires, in Ref. 1, pp. 73-88.
14. N. A. Marks, D. R. McKenzie, B. A. Pailthorpe, M. Bernasconi, and M. Parrinello, Phys. Rev. B 54, 9703 (1996).
15. J. Yu, A. Omeltchenko, R. K. Kalia, P. Vashishta, and D. W. Brenner, Mater. Res. Soc. Symp. Proc. 408, 113 (1996).
16. B. A. Pailthorpe, J. Appl. Phys. 70, 543 (1991).
17. N. A. Marks, D. R. McKenzie, and B. A. Pailthorpe, Phys. Rev. B 53, 4117 (1996).
18. H. P. Kaukonen and R. M. Nieminen, Phys. Rev. Lett. 68, 620 (1992).
19. S. Uhlmann, Th. Frauenheim, and Y. Lifshitz, Phys. Rev. Lett. 81, 641 (1998).
20. J. Tersoff, Phys. Rev. B 39, 5566 (1989); 41, 3248 (1990).
21. J. Tersoff, Phys. Rev. B 39, 5566 (1989); 41, 3248 (1990).
22. D. W. Brenner, Phys. Rev. B 42, 9458 (1990); 46, 1948 (1992).
23. D. W. Brenner, Phys. Rev. B 42, 9458 (1990); 46, 1948 (1992).
24. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and H. R. Haak, J. Chem. Phys. 81, 3684 (1984).
25. H. U. Jäger and M. Weiler, Diamond Relat. Mater. 7, 858 (1998).
26. H. P. Kaukonen and R. M. Nieminen, Surf. Sci. 331-333, 975 (1995).
27. Y. Lifshitz, Diamond Relat. Mater. 5, 388 (1996).
28. T. A. Friedmann, K. F. McCarty, J. C. Barbour, M. P. Siegal, and D. C. Dibble, Appl. Phys. Lett. 68, 1643 (1996).
29. C. A. Davis, G. A. J. Amaratunga, and K. M. Knowles, Phys. Rev. Lett. 80, 3280 (1998).
30. J. Koskinen, J.-P. Hirvonen, and J. Keränen, J. Appl. Phys. 84, 648 (1998).
31. G. C. Abell, Phys. Rev. B 31, 6184 (1985).
32. If a carbon atom with three nearest neighbours is bonded to a carbon atom with four nearest neighbours, the potential energy formula of Tersoff interpolates the bond properties so that they are intermediate between those of a single and double bond. In doing so the binding energy is overestimated and artificial configurations can be favored. Brenner pointed out that a double bond admixture due to π overlap cannot occur and that such a bond is better described as a single bond plus a radical orbital. He introduced a correction for this specific case, which was determined by fitting the vacancy formation energies in diamond and graphite.
33. T. Takai, C. Lee, T. Halicioglu, and W. A. Tiller, J. Phys. Chem. 94, 4480 (1990).
34. R. Smith and K. Beardmore, Thin Solid Films 272, 255 (1996).
35. K. Nordlund, J. Keinonen, and T. Mattila, Phys. Rev. Lett. 77, 699 (1996).
36. Tersoff as well as Brenner used in their formulas for the pair interactions a cutoff function simply taken as (see Refs. 20 and 21) (Equation Presented) which has a continuous value and derivative for all bond lengths r, and goes from 1 to 0 in a small range around (R + S)/2.
37. D. W. Brenner, Mater. Res. Soc. Symp. Proc. 141, 59 (1989).
38. J. Tersoff, Phys. Rev. B 37, 6991 (1988).
39. J. Bernholc, A. Antonelli, T. M. Del Sole, Y. Bar-Yam, and S. T. Pantelides, Phys. Rev. Lett. 61, 2689 (1988).
40. D. G. Pettifor and I. I. Oleinik, Phys. Rev. B 59, 8487 (1999); I.I. Oleinik and D. G. Pettifor, ibid. 59, 8500 (1999).
41. D. G. Pettifor and I. I. Oleinik, Phys. Rev. B 59, 8487 (1999); I.I. Oleinik and D. G. Pettifor, ibid. 59, 8500 (1999).
42. D. R. McKenzie et al., Diamond Relat. Mater. 1, 51 (1991).
43. R. Lossy, D. L. Pappas, R. A. Roy, J. P. Doyle, J. J. Cuomo, and J. Bruely, J. Appl. Phys. 77, 4750 (1995).
44. S. R. P. Silva, S. Xu, B. X. Tay, H. S. Tan, and W. I. Milne, Appl. Phys. Lett. 69, 491 (1996).