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Elastic Constants and Related Properties of the Group III-Nitrides

Published online by Cambridge University Press:  21 February 2011

Kwiseon Kim ,
Walter R. L. Lambrecht  and
B. Segall
Kwiseon Kim
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079
Walter R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079
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Abstract

The elastic constants of the Group-III nitrides, c-BN, AlN and GaN were calculated from first-principles using the full-potential linear muffin-tin orbital method and local density approximation. The relation between the elatic constants in zincblende and wurtzite is studied by means of a tensor coordinate transformation approach. The latter combined with a correction for the internal displacement of the rotated tetrahedra is found to provide good results for the Ch11Ch12 and Ch44 but not for Ch13 and Ch33. These two require explicit calculations involving distortions along the c-axis. The calculations also provide information on the transverse optical phonons. By deriving Keating model parameters we show that BN is much stiffer against bond-angle distortions than the other nitrides.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 395: Symposium AAA – Gallium Nitride and Related Materials: The First International Symp , 1995 , 399
Copyright
Copyright © Materials Research Society 1996

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References

REFERENCES

1 Grimsditch, M., Zouboulis, E. S. and Polian, A. J. Appl. Phys. 76 832 (1994).Google Scholar
2 McNeil, L. E., Grimsditch, M., and French, R. H., J. Am. Ceram. Soc. 76, 1132 (1993).Google Scholar
3 Tsubouchi, K. and Mikoshiba, N., IEEE Trans. Sonics Ultrason. SU–32, 634 (1985).Google Scholar
4 Polian, A., Grimsditch, M., and Grzegory, I. J. Appl. Phys., to be published.Google Scholar
5 Ruiz, E., Alvarez, S., and Alemany, P., Phys. Rev. B 49, 7115 (1994).Google Scholar
6 Rodriguez-Hernández, P., González-Diaz, M., and Muñoz, A., Phys. Rev. B 51, 14705 (1995).Google Scholar
7 Methfessel, M., Phys. Rev. B 38, 1537 (1988).Google Scholar
8 Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140, A1133 (1965).Google Scholar
9 Alvarenga, A. D., Grimsditch, M., and Polian, A., J. Appl. Phys. 72, 1955 (1992).Google Scholar
10 Murugkar, S., Merlin, R., Lei, T. and Moustakas, T. D., Bull. Am. Phys. Soc. 37, 556 (1992).Google Scholar
11 Perlin, P., Jauberthie-Carillon, C., Itie, J. P., San Miguel, A., Grzegory, I., and Polian, A., Phys. Rev. B 45, 83 (1992).Google Scholar
12 Gorczyca, I., Christensen, N. E., Peltzer y Blanca, E. L., and Rodriguez, C. O., Phys. Rev. B 51, 11936 (1995).Google Scholar
13 Martin, R. M., Phys. Rev. B 6, 4546 (1972).Google Scholar
14 Landolt-Börnstein Numerical Data and Functional Relationships, edited by Madelung, O., New Series, Vol. 22a (Springer, New York, 1987).Google Scholar
15 Polatoglou, H. and Methfessel, M., Phys. Rev. B 41, 5898 (1990).Google Scholar
16 Lambrecht, W. R. L., Segall, B., Methfessel, M., and van Schilfgaarde, M., Phys. Rev. B 44, 3685 (1991).Google Scholar
17 Properties of Group III Nitrides, edited by Edgar, J. H., Electronic Materials Information Service (EMIS) Datareviews Series (Institution of Electrical Engineers, London 1994).Google Scholar
18 Keating, P. N., Phys. Rev. 145, 637 (1966).Google Scholar
19 Martin, R. M., Phys. Rev. B 1, 4005 (1970).Google Scholar