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Band Offsets at Strained-Layer Interfaces

  • Chris G. Van De Walle (a1)

Abstract

Strained-layer heterojunctions and superlattices have recently shown tremendous potential for device applications because of their flexibility for tailoring the electronic band structure. We present a theoretical model to predict the band offsets at both lattice-matched and pseudomorphic strained-layer interfaces. The theory is based on the local-density- functional pseudopotential formalism, and the “model solid approach” of Van de Walle and Martin. The results can be most simply expressed in terms of an “absolute” energy level for each semiconductor, and deformation potentials that describe the effects of strain on the electronic bands. The model predicts reliable values for the experimentally observed lineups in Si/Ge, GaAs/InAs, and ZnSe/ZnS systems, and can be used to ex-plore which combinations of materials and configurations of the strains will lead to the desired electronic properties.

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1 Van de Walle, C. G. and Martin, R. M., Phys. Rev.B 35, 8154 (1987).
2 Van de Walle, C. G. and Martin, R. M., Phys. Rev.B 34, 5621 (1986).
3 See the discussion in Ref.2
4 Van de Walle, C. G., Ph.D Dissertation, Stanford University (1986).
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6 Bachelet, G. B., Hamann, D. R. and Schluter, M., Phys. Rev. B 26, 4199 (1982).
7 Atomic configurations are listed in Ref. 2, and were obtained from tight-binding calculations by Chadi, D. J. (private communication).
8 Gualtieri, G. P., Nuzzo, R. G., Malik, R. J., Walker, J. F., Feldman, L. C., Sunder, W. A., and Schwartz, G. P., J. Vac. Sci. Technol. B 5, 1284 (1987).
9 Menéndez, J., Pinczuk, A., Werder, D. J., Valladares, J.P., Chiu, T. H., and Tsang, W. T., Solid State Commun. 61, 703 (1987).
10 Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology (Springer, New York, 1982), Group III, Vol.17 a-b.
11 Shahzad, K., Olego, D. J. and Van de Walle, C. G. (to be published).
12 Van de Walle, C. G. and Martin, R. M., J. Vac. Sci. Technol.B5, 1225 (1987).
13 Lang, D. V., Panish, M. B., Capasso, F., Allam, J., Hamm, R. A., Sergent, A. M., and Tsang, W. T., Appl. Phys. Lett. 50, 736 (1987).
14 Skolnick, M. S., Tapster, P. R., Bass, S. J., Pitt, A. D., Apsley, A., and Aldred, S. P., Semicond. Sci. Technol. 1, 29 (1986).
15 People, R., J. Appl. Phys. 62, 2551 (1987).

Band Offsets at Strained-Layer Interfaces

  • Chris G. Van De Walle (a1)

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