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Theoretical evidence for efficient -type doping of GaN using beryllium
1.Zn is inefficient due to its ionization energy of 0.34 eV; F. Bernardini, V. Fiorentini, and R. M. Nieminen, in The Physics of Semiconductors, edited by M. Scheffler and R. Zimmermann (World Scientific, Singapore, 1996), p. 2881, reported an ab initio theoretical value of 0.33 eV.
2.J. Neugebauer and C. G. van de Walle, Appl. Phys. Lett. 68, 1829 (1996);
2.Festkörperprobleme/Advances in Solid State Physics, edited by R. Helbig (Vieweg, Braunschweig, 1996), Vol. 35, p. 25.
3.R. Dreizler and E. Gross, Density Functional Theory (Springer, Berlin, 1990).
4.V. Fiorentini, F. Bernardini, A. Bosin, and D. Vanderbilt, in The Physics of Semiconductors, edited by M. Scheffler and R. Zimmermann (World Scientific, Singapore, 1996), p. 2877. This paper and Ref. 1 are electronically available at the WWW site http://xxx.lanl.gov/list/mtrl-th/9610.
5.A. Bosin, V. Fiorentini, and D. Vanderbilt, in Gallium Nitride and Related Compounds, edited by R. D. Dupuis, J. A. Edmond, F. Ponce, and S. Nakamura, MRS Proceedings [MRS Proc. 395, 503 (1996)];
5.available at http://sparc10.unica.it/∼fiore/ac.ps; F. Bernardini, A. Bosin, and V. Fiorentini (unpublished).
6.C. G. Van de Walle, D. B. Laks, G. F. Neumark, and S. T. Pantelides, Phys. Rev. B 74, 9425 (1993).
7.Observation of this effect has been reported recently, O. Brandt (private communication);
7.H. Riechert (private communication).
8.J. Neugebauer and C. G. van de Walle, Phys. Rev. Lett. 75, 4452 (1995).
9.We checked several options, based on calculations for Be–H and for isolated H in GaN (see Ref. 5), including H bound at N vacancies. See also Ref. 8.
10.Y. Zhou, R. Luchsinger, and P. Meyer, Phys. Rev. B 51, 4166 (1995).
11.O. Brandt, H. Yang, H. Kostial, and K. Ploog, Appl. Phys. Lett. 69, 2707 (1996).
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