Mechanism for hydrogen-enhanced oxygen diffusion in silicon

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 7, 1999, Pages 4898-4900

  Joannopoulos, J D ^e  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c Massachusetts Institute of Technology Cambridge   (United States)

^d Stanford University   (United States)

^e MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001205612     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.4898     Document Type: Article

References (23)

1. Oxygen in Silicon, edited by F. Shimura, Semiconductors and Semimetals Vol. 42 (Academic Press, New York, 1994).
2. U. Gösele and T Y. Tan, Appl. Phys. A: Solids Surf.28, 79 (1982).
3. J. W. Corbett, P. Deák, and R. Wu, Mater. Sci. Forum38-41, 579 (1989).
4. P. D. Southgate, Proc. Phys. Soc. London36, 385 (1960);
5. C. Haas, J. Phys. Chem. Solids15, 108 (1960);
6. G. D. Watkins, J W. Corbett, and R S. McDonald, J. Appl. Phys.53, 7097 (1982);
7. S.-T. Lee and D. Nichols, Appl. Phys. Lett.47, 1001 (1985);
8. J. C. Mikkelsen, Jr., in Oxygen, Carbon, Hydrogen, and Nitrogen in Cystallize Silicon, edited by J.C. Mikkelson et al., MRS Symposia Proceeding No. 59 (Materials Research Society, Pittsburgh, 1986), p. 19.
9. R. Murray, Physica B170, 115 (1991).
10. S. A. McQuaid, R C. Newman, J H. Tucker, E C. Lightowlers, A. Kubiak, and M. Goulding, Appl. Phys. Lett.58, 2933 (1991).
11. H. J. Stein and S. Hahn, J. Appl. Phys.75, 3477 (1994).
12. S. K. Estreicher, Phys. Rev. B41, 9886 (1990).
13. F. Buda, G L. Chiarotti, R. Car, and M Parrinello, Phys. Rev. Lett.63, 294 (1989).
14. G. Panzarini and L. Colombo, Phys. Rev. Lett.73, 1636 (1994).
15. R. Jones, S. Öberg, and A. Umerski, Mater. Sci. Forum83-87, 551 (1992).
16. M. Ramamoorthy and S T. Pantelides, Solid State Commun.106, 243 (1998).
17. A. M. Rappe, K M. Rabe, E. Kaxiras, and J D. Joannopoulos, Phys. Rev. B41, 1227 (1990).
18. M. C. Payne, M P. Teter, D C. Allan, T A. Arias, and J D. Joannopoulos, Rev. Mod. Phys.64, 1045 (1992).
19. C. H. Seager and R A. Anderson, Appl. Phys. Lett.53, 1181 (1988).
20. C. G. Van de Walle, Y. Bar-Yam, and S T. Pantelides, Phys. Rev. Lett.60, 2761 (1988).
21. M. Needels, J D. Joannopoulos, Y. Bar-Yam, S T. Pantelides, and R H. Wolfe, in Defects in Materials, edited by P. D. Bristowe, J. E. Epperson, J. E. Griffith, and Z. Liliental-Weber, MRS Symposia Proceedings209 (Materials Research Society, Pittsburgh, 1991), p. 103.
22. In fact, a trajectory generated by this molecular dynamics would approach the minimum energy trajectory if the diffusing atom had a mass much greater than the mass of the host atoms, so that the latter would respond almost instantaneously to the movement of the diffuser. In our case, we have the opposite situation: the O mass is smaller than the Si mass. Because of this mass diference, the oxygen loses its kinetic energy very rapidly to the lattice, an undesirable effect that can be prevented by giving back the available kinetic energy to the O atom. We have used this artifact once during the dynamics.
23. A. Dal Pino, Jr., M. Needels, and J D. Joannopoulos, Phys. Rev. B45, 3304 (1992).