Abstract
The modeling of atomistic processes in semiconductors based on the density functional theory is outlined. The role of intrinsic defects in the self and dopant diffusion, as well as in the dopant activation is investigated for the case of silicon carbide. A hierarchy of annealing mechanisms for vacancies and interstitials is proposed. The identification of the microscopic origin of experimental defect centers by calculated defect signatures establishes a link between theoretical modeling and experiments.
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M. Bockstedte, A. Mattausch, and O. Pankratov, Phys. Rev. B 68, 205201 (2003).
I. V. Ionova and E. A. Carter, J. Chem. Phys. 98, 6377 (1993).
Chris G. Van de Walle and E. Blöchl, Phys. Rev. B 45, 4244 (1993).
R. B. Capaz, J. A. Dal Pino, and J. D. Joannopoulos Phys. Rev. B 58, 9845 (1998).
A. Zywietz, J. Furthmüler, and F. Bechstedt, Phys. Rev. B 59, 15166 (1999).
M. Bockstedte and O. Pankratov, Mater. Sci. Forum 338–342, 949 (2000).
T. Lingner et al., Phys. Rev. B 64, 245212 (2001).
T. Umeda, N. T. Son, J. Isoya, E. Janzén, T. Ohshima, N. Morishita, H. Itoh, A. Gali, and M. Bockstedte, Phys. Rev. Lett. 96, 145501 (2006).
H. Itoh, A. Kawasuso, T. Ohshima, M. Yoshikawa, I. Nashiyama, S. Tanigawa, S. Misawa, H. Okumura, and S. Yoshida, phys. stat. sol. (a) 162, 173 (1997).
T. Wimbauer et al., Phys. Rev. B 56, 7384 (1997).
N.T Son et al., Phys. Rev. B 63, 201201 (2001); ibid Phys. Rev. Lett. 87, 045502 (2001).
M. Bockstedte, M. Heid, and O. Pankratov, Phys. Rev. B 67, 193102 (2003).
T. Umeda et al., Phys. Rev. B 69, 121201 (2004).
N. Mizuochi et al., Phys. Rev. B 68, 165206 (2003).
T. Umeda et al. Phys. Rev. B 71, 193202 (2005).
N. Son et al., Mater. Sci. Forum 457–460, 437 (2004).
N. T. Son, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, B. Magnusson, A. Ellison, N. Morishita, T. Oshima, H. Itoh, and E. Janzén, Phys. Rev. Lett. 96, 055501 (2006).
A. Bockstedte, Mattausch, and O. Pankratov, Phys. Rev. B 69, 235202 (2004).
L. Torpo, T. E. M. Staab, and R. M. Nieminen, Phys. Rev. B 65, 85202 (2002).
A. Mattausch, M. Bockstedte, and O. Pankratov, Mater. Sci. Forum 483–485, 523 (2005).
T. T. Petrenko et al. J. Phys. Cond. Matt. 14, 12433 (2002).
N. T. Son, P. N. Hai, and E. Janzén, Mater. Sci. Forum 353–356, 499 (2001).
G. A. Evans et al. Phys. Rev. B 66, 35204 (2002).
A. Mattausch, M. Bockstedte, and O. Pankratov, Physica B 308–310 (2001), 656; Phys. Rev. B 69, 45322 (2004).
A. Mattausch et al., Phys. Rev. B 73, 161201(R) (2006).
A. Gali et al. Phys. Rev. B 68, 125201 (2003).
Y. Zhang et al., J. Appl. Phys. 93, 1954 (2003).
M. Bockstedte, A. Mattausch, and O. Pankratov, Matter. Sci. Forum 353–356, 447 (2001).
S. Greulich-Weber, phys. stat. solidi (a) 162, 95 (1997).
A. van Duijn-Arnold et al., Phys. Rev. B 60, 15829 (1999).
A. Fukumoto, Phs. Rev. B 53, 4458 (1996).
M. Bockstedte, A. Mattuasch, and O. Pankratov, Phys. Rev. B 70, 115203 (2004).
H. Itoh et al., Appl. Phys. Lett. 73, 1427 (1998).
M. Bockstedte, A. Mattausch, and O. Pankratov, Mater. Sci. For. 483–485, 527 (2005).
S. G. Sridhara et al., J. Appl. Phys. 83, 7909 (1998).
W. Suttrop et al., Appl. Phys. A 51, 231 (1990).
A. van Duijn-Arnold et al., Phys. Rev. B 57, 1607 (1998).
S. I. Soloviev, Y. Gao, and T.S. Sudarshan, Appl. Phys. Lett. 77, 4004 (2000).
M. Laube, G. Pensl, and H Itoh, Appl. Phys. Lett. 74, 2292 (1999).
M. Gong et al., Appl. Phys. Lett. 72, 2739 (1998).
Y. Gao, S. I. Scoloviev, and T.S. Sudarshan, Appl. Phys. Lett. 83, 905 (2003).
E.N. Mokhov, E.E. Goncharov, and G.G. Ryabova, Sov. Phys. Semicond. 18, 27 (1984).
A.O. Konstantinov, Sov. Phys. Semicond. 26, 151 (2000).
H. Bracht, N.A. Stolwijk, M. laube, and G. Pensl, Appl. Phys. Lett. 77, 3188 (2000).
E.N. Mokhov et al., Sov. Phys. Semicond. 30, 140 (1988).
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Bockstedte, M. Modeling of Atomistic Processes in Semiconductors: from Defect Signatures to a Hierarchy of Annealing Mechanisms. MRS Online Proceedings Library 978, 801 (2006). https://doi.org/10.1557/PROC-978-0978-GG08-01
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DOI: https://doi.org/10.1557/PROC-978-0978-GG08-01