Chemical Trends in Impurity Incorporation into Si(100)

M. Ramamoorthy; E. L. Briggs; J. Bernholc

doi:10.1103/PhysRevLett.81.1642

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Chemical Trends in Impurity Incorporation into Si(100)

M. Ramamoorthy, E. L. Briggs, and J. Bernholc

Department of Physics, North Carolina State University, Raleigh, North Carolina 27695–8202

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Phys. Rev. Lett. 81, 1642 – Published 24 August, 1998

DOI: https://doi.org/10.1103/PhysRevLett.81.1642

Abstract

Theoretical investigations of the adsorption, incorporation, and segregation of a number of common impurities at the ( $2 \times 1$ )-Si(100) surface reveal two qualitatively distinct classes of behavior. Some impurities prefer to adsorb in trenches between surface dimer rows. Their incorporation into the surface is highly unfavorable. Other impurities prefer to adsorb on top of surface dimer rows. Their incorporation into the surface is either energetically favorable or only marginally unfavorable. The results explain a number of experimental observations.

References (25)

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[c1] D. J. Chadi, Phys. Rev. Lett. 43, 43 (1979).

[c2] R. M. Tromp, R. J. Hamers, and J. E. Demuth, Phys. Rev. Lett. 55, 1303 (1985).

[c3] O. L. Alerhand et al., Phys. Rev. Lett. 61, 1973 (1988).

[c4] J. Nogami, A. A. Baski, and C. F. Quate, J. Vac. Sci. Technol. A 8, 245 (1990); Appl. Phys. Lett. 53, 2086 (1991); ibid.58, 475 (1991); A. A. Baski, J. Nogami, and C. F. Quate, Phys. Rev. B 43, 9316 (1991); ibid.44, 1415 (1991); A. A. Baski, C. F. Quate, and J. Nogami, 44, 11 167 (1991).

[c5] J. E. Northrup et al., Phys. Rev. B 44, 13 799 (1991).

[c6] R. D. Bringans, D. K. Biegelsen, and L. E. Swartz, Phys. Rev. B 44, 3054 (1991).

[c7] B. Yu and A. Oshiyama, Phys. Rev. Lett. 71, 585 (1993), and references therein.

[c8] Y. Wang, X. Chen, and R. J. Hamers, Phys. Rev. B 50, 4534 (1994).

[c9] Y. Wang, R. J. Hamers, and E. Kaxiras, Phys. Rev. Lett. 74, 403 (1995).

[c10] Z. Zhang et al., J. Vac. Sci. Technol. B 14, 2684 (1996).

[c11] G. Brocks, P. J. Kelly, and R. Car, Phys. Rev. Lett. 70, 2786 (1993); J. Vac. Sci. Technol. B 12, 2705 (1994).

[c12] R. I. G. Uhrberg et al., Phys. Rev. Lett. 56, 520 (1986).

[c13] R. D. Bringans, Crit. Rev. Solid State Mater. Sci. 17, 353 (1992).

[c14] J. Tersoff, Phys. Rev. Lett. 74, 5080 (1995).

[c15] P. C. Kelires and E. Kaxiras, Phys. Rev. Lett. 78, 3479 (1997), and references therein.

[c16] W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).

[c17] D. R. Hamann, M. Schluter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).

[c18] E. L. Briggs, D. J. Sullivan, and J. Bernholc, Phys. Rev. B 52, R5471 (1995); 54, 14 362 (1996).

[c19] G. Brocks and P. J. Kelly, Phys. Rev. Lett. 76, 2362 (1996).

[c20] M. Copel et al., Phys. Rev. Lett. 63, 632 (1989).

[c21] A. S. Berezhnoi, Silicon and its Binary Systems (Consultants Bureau, New York, 1960).

[c22] P. M. Fahey, P. B. Griffith, and J. D. Plummer, Rev. Mod. Phys. 61, 289 (1989), and references therein.

[c23] Y. W. Mo et al., Phys. Rev. Lett. 66, 1998 (1991).

[c24] J. Wang, T. A. Arias, and J. D. Joannopoulos, Phys. Rev. B 47, 10 497 (1993).

[c25] Y. W. Mo, Phys. Rev. Lett. 71, 2923 (1993).

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Chemical Trends in Impurity Incorporation into Si(100)

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