Abstract
Applying state-of-the-art first-principles, calculations we study atomic geometry, electronic structure, and energetics for all native defects and for several donor impurities (O, C, Si) and GaN. An analysis of these results gives direct insight into the defect concentrations and the solubility of impurities with respect to the growth conditions (temperature, chemical potentials) and into possible mechanisms for passivation and compensation. Particularly, we discuss in detail the role of the nitrogen vacancy, which is commonly assumed to be the source for the “auto-do**” of GaN. Our results show that GaN has distinctively different defect properties compared to more “traditional” semiconductors such as Si, GaAs or ZnSe. This is explained in terms of the large mismatch in the atomic radii of Ga and N.
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R. F. Davis, Proceedings IEEE 79, 702 (1991).
S. Strite and H. Morkoc, J. Vac. Sci. Technol. 10, 1237 (1992).
H. Morkoc, S. Strite, G. B. Gao, M. E. Lin, B. Sverdlov, and M. Burns, J. Appl. Phys 76, 1363 (1994).
S. Nakamura, T. Mukai, and M. Senoh, Appl. Phys. Lett. 64, 1687 (1994).
H. Amano, M. Kito, K. Hiramatsu, and I. Akasaki, Jpn. J. Appl. Phys 28, L2112 (1989)
S. Nakamura, N. Iwasa, M. Senoh, and T. Mukai, Jpn. J. Appl. Phys 31, 1258 (1992).
H. P. Maruska and J. J. Tietjen, Appl. Phys. Lett. 15, 327 (1969).
M. Ilegems and H. C. Montgomery, J. Phys. Chem. Solids 34, 885 (1973).
W. Seifert, R. Franzheld, E. Butter, H. Sobotta, and V. Riede, Chrystal Res. & Technol. 18, 383 (1983).
B.-C. Chung and M. Gershenzon, Appl. Phys. Lett. 72, 651 (1992).
D. W. Jenkins and J. D. Dow, Phys. Rev. B 39, 3317 (1989).
G. A. Baraff and M. Schlüter, Phys. Rev. B 28, 2296 (1983).
Y. Bar-Yam and J. D. Joannopoulos, Phys. Rev. Lett. 52, 1128 (1984).
R. Car, P. J. Kelly, A. Oshiyama, and S. T. Pantelides, Phys. Rev. Lett. 54, 360 (1985).
S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. 67, 2339 (1991).
D. B. Laks, C. G. Van de Walle, G. F. Neumark, and S. T. Pantelides, Phys. Rev. Lett. 66, 648 (1991).
J. E. Northrup and S. B. Zhang, Phys. Rev. B 47, 6791 (1993).
C. G. Van de Walle, D. B. Laks, G. F. Neumark, and S. T. Pantelides, Phys. Rev. B 47, 9425 (1993).
G.-X. Qian, R. M. Martin, and D. J. Chadi, Phys. Rev. B 38, 7649 (1992).
D. B. Laks, C. G. Van de Walle, G. F. Neumark, P. E. Blöchl, and S. T. Pantelides, Phys. Rev. B 45, 10965 (1992).
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
R. Stumpf and M. Scheffler, Comp. Phys. Commun. 79, 447 (1994).
J. Neugebauer and C. G. Van de Walle, to be published.
J. Neugebauer and C. G. Van de Walle, in Materials Research Society Symposia Proceedings, edited by C. H. Carter Jr., G. Gilbenblat, S. Nakamura, and R. J. Nemanich (Materials Research Society, Pittsburgh, Pennsylavania, 1994), Vol. 339, p. 687.
V. Fiorentini, M. Methfessel, and M. Scheffler, Phys. Rev. B 48, 1739 (1992).
D. W. Jenkins, J. D. Dow, and M. H. Tsai, Appl. Phys. Lett. 72, 4130 (1992).
T. L. Tansley and R. J. Egan, Phys. Rev. B 45, 10942 (1992).
J. Neugebauer and C. G. Van de Walle, Phys. Rev. B 50, 8067 (1994).
J. E. Northrup and S. B. Zhang, Phys. Rev. B 50, 4962 (1994).
A. Garcia and J. E. Nortrup, Phys. Rev. Lett. 74, 1131 (1995).
P. Boguslawski, E. Briggs, and J. Bernholc, in The Physics of Semiconductors, edited by D. J. Lockwood (Materials Research Society, World Scientific, Singapore, 1994), Vol. 3.
R. W. G. Wyckoff, Crystal structures (Interscience Publishers, New York, 1963), Vol. 1
S. D. Lester, F. A. Ponce, M. G. Craford, and D. A. Steigerwald, Appl. Phys. Lett. 66 1249 (1994).
T. Ogino and M. Aoki, Jpn. J. Appl. Phys 19, 2395 (1980).
E. R. Glaser, T. A. Kennedy, K. Doverspike, L. B. Rowland, D. K. Gaskill, J. A. Freitas, Jr., M. Asif Khan, D. T. Olson, J. N. Kuznia, and D. K. Wickenden, submitted to Phys. Rev. B.
W. Götz, N. Johnson, R. A. Street, H. Amano, and I. Akasaki, Appl. Phys. Lett. 66, 1340 (1995).
F. A. Ponce, D. P. Bour, W. Götz, and P. J. Wright, Appl. Phys. Lett. 68, 57 (1996).
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© 1996 Friedr. Vieweg & Sohn Verlagsgesellschaft mbH
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Neugebauer, J., Van de Walle, C.G. (1996). Native defects and impurities in GaN. In: Helbig, R. (eds) Advances in Solid State Physics 35. Advances in Solid State Physics, vol 35. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0107538
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DOI: https://doi.org/10.1007/BFb0107538
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