Si(111)/B Surface Reconstruction and Related Phenomena
Jianlin Chang
Department of Physics, Queen's University, Kingston, Ontario K7L 3N6, Canada
Search for more papers by this authorM. J. Stott
Department of Physics, Queen's University, Kingston, Ontario K7L 3N6, Canada
Search for more papers by this authorJianlin Chang
Department of Physics, Queen's University, Kingston, Ontario K7L 3N6, Canada
Search for more papers by this authorM. J. Stott
Department of Physics, Queen's University, Kingston, Ontario K7L 3N6, Canada
Search for more papers by this authorAbstract
The results of ab initio pseudopotential calculations of various aspects of Si(111) surface with adsorbed B and other group III impurities are reported. The reconstruction of the surface due to adsorbed group III impurities is studied along with the surface core level shifts of the Si(111)/B system. Si epitaxial growth on Si(111)/B surface and the possible formation of a δ-doped layer are also examined.
References
- 1 J. M. Nicholls, B. Reihl, and J. E. Northrup, Phys. Rev. B 35, 4137 (1987).
- 2 J. E. Northrup, Phys. Rev. Letters 53, 683 (1984).
- 3 J. M. Nicholls, P. Martensson, G. V. Hansson, and J. E. Northrup, Phys. Rev. B 32, 1333 (1985).
- 4 P. Bedrossian, R. D. Meade, K. Mortensen, D. M. Chen, J. A. Golovchenko, and D. Vanderbilt, Phys. Rev. Letters 63, 1257 (1989).
- 5 I.-W. Lyo, E. Kaxiras, and Ph. Avouris, Phys. Rev. Letters 63, 1261 (1989).
- 6 E. Kaxiras, K. C. Pandey, F. J. Himpsel, and R. M. Tromp, Phys. Rev. B 41, 1262 (1990).
- 7 R. L. Headrick, I. K. Robinson, E. Vlieg, and L. C. Feldman, Phys. Rev. Letters 63, 1253 (1989).
- 8 H. Huang, S. Y. Tong, J. Quinn, and F. Jona, Phys. Rev. B 41, 3276 (1990).
- 9 P. Bedrossian, K. Mortensen, D. M. Chen, and J. A. Golovchenko, Phys. Rev. B 41, 7545 (1990).
- 10 A. B. McLean, L. J. Terminello, and F. J. Himpsel, Phys. Rev. B 41, 7694 (1990).
- 11 J. E. Rowe, G. K. Wertheim, and D. M. Riffe, J. Vacuum Sci. Technol. A 9, 1020 (1991).
- 12 R. Cao, X. Yang, and P. Pianetta, J. Vacuum Sci. Technol. A 11, 1817 (1993).
- 13 T. M. Grehk, M. Gothelid, U. O. Karlsson, L. S. O. Johansson, S. M. Gray, and K. O. Magnusson, Phys. Rev. B 52, 11165 (1995).
- 14 E. Pehlke and M. Scheffler, Phys. Rev. Letters 71, 2338 (1993).
- 15 A. Pasquarello, M. S. Hybertsen, and R. Car, Phys. Rev. Letters 74, 1024 (1995).
- 16 R. L. Headrick, L. C. Feldman, and I. K. Robinson, Appl. Phys. Letters 55, 442 (1989).
- 17 R. L. Headrick, B. E. Weir, J. Bevk, B. S. Freer, D. J. Eaglesham, and L. C. Feldman, Phys. Rev. Letters 65, 1128 (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 P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
- 20 W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
- 21 R. Car and M. Parrinello, Phys. Rev. Letters 55, 2571 (1985).
- 22 R. Stumpf and M. Scheffler, Comp. Phys. Commun. 79, 447 (1994).
- 23 G. B. Ceperley and B. J. Adler, Phys. Rev. Letters 45, 566 (1980).
- 24 J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
- 25 D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
- 26 L. Kleinman and D. M. Bylander, Phys. Rev. Letters 48, 1425 (1982).
- 27 J. N. Andersen, D. Hennig, E. Lundgren, M. Methfessel, R. Nyholm, and M. Scheffler, Phys. Rev. B 50, 17525 (1994).
- 28 P. J. Feibelman and R. Stumpf, Phys. Rev. B 50, 17480 (1994).
- 29 X. Blase, A. J. R. da Silva, X. Zhu, and S. G. Louie, Phys. Rev. B 50, 8102 (1994).
- 30 J. E. Rowe, private communication (1996).