Density-functional study of the stabilization of the Si(001) dimer vacancy by Ni

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 8, 2002, Pages 853091-853096

  Horsfield, Andrew ^a   Akhmatskaya, Elena ^a   Nobes, Ross ^a   Andzelm, Jan ^b   Fitzgerald, George ^b   Govind, Niranjan ^b  

^a Fujitsu Laboratories of Europe Ltd   (United Kingdom)

^b ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMER; NICKEL; SILICON DERIVATIVE;

ARTICLE; BINDING AFFINITY; BINDING KINETICS; CALCULATION; DENSITY; DIFFUSION; MOLECULAR DYNAMICS; MOLECULAR STABILITY; SURFACE PROPERTY;

EID: 0037104393     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.085309     Document Type: Article

References (18)

1. J. Wang, T. Arias, and J. Joannopoulos, Phys. Rev. B 47, 10 497 (1993).
2. J.-Y. Koo, J.-Y. Yi, C. Hwang, D.-H. Kim, S. Lee, and D.-H. Shin, Phys. Rev. B 52, 17 269 (1995).
3. N. Kitamura, M. Lagally, and M. Webb, Phys. Rev. Lett. 71, 2082 (1993).
4. J.-Y. Koo, J.-Y. Yi, C. Hwang, D.-H. Kim, S. Lee, and J. Cho, Phys. Rev. B 54, 10 308 (1996).
5. T. Kawabe and A. Natori, Surf. Sci. 462, 181 (2000).
6. Z. Zhang, H. Chen, B. Bolding, and M. Lagally, Phys. Rev. Lett. 71, 3677 (1993).
7. M. Jeong, Y. Lee, and Y. Hwang, Phys. Rev. B 51, 17 151 (1995).
8. H. Zandvliet, H. Louwsma, P. Hegeman, and B. Poelsema, Phys. Rev. Lett. 75, 3890 (1995).
9. S. Higai and T. Ohno, Appl. Surf. Sci. 166, 149 (2000).
10. B. Yu, Y. Miyamoto, O. Sugino, T. Sasaki, and T. Ohno, Phys. Rev. B 58, 3549 (1998).
11. A.P. Horsfield, S.D. Kenny, and H. Fujitani, Phys. Rev. B 64, 245332 (2001).
12. B. Delley, J. Chem. Phys. 92, 508 (1990).
13. B. Delley, J. Chem. Phys. 113, 7756 (2000).
14. 3 is developed and distributed by Accelrys Inc., San Diego, CA. See the Users Guide for details.
15. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
16. V. Milman, B. Winkler, J.A. White, C.J. Pickard, M.C. Payne, E.V. Akhmatskaya, and R.H. Nobes, Int. J. Quantum Chem. 77, 895 (2000). The program CASTEP is developed and distributed by Accelrys Inc., San Diego, CA, USA. See the Users Guide for details of the program.
17. S.D. Kenny, A.P. Horsfield, and H. Fujitani, Phys. Rev. B 62, 4899 (2000).
18. D.R. Bowler, M. Fearn, C. Goringe, A.P. Horsfield, and D.G. Pettifor, J. Phys.: Condens. Matter 10, 3719 (1998).