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Theoretical Study of Semiconductor Interfaces

Published online by Cambridge University Press:  25 February 2011

Chris G. Van De Walle  and
Richard M. Martin
Chris G. Van De Walle
Affiliation:
Stanford Electronics Laboratories, McCullough 422, Stanford, CA 94305 Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, CA 94304
Richard M. Martin
Affiliation:
Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, CA 94304
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Abstract

We perform self-consistent density functional calculations on semiconductor heterojunctions, using ab initio nonlocal pseudopotentials, and derive valence band discontinuities for many different lattice matched interfaces. Spin-orbit effects are included a posteriori. A comparison is made with previous calculations, which used empirical pseudopotentials, and with other heterojunction theories. We find reasonable agreement with reported experimental values, and derive some important conclusions about the nature of the lineups.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 63: Symposium R – Computer-Based Microscopic Description of the Structure and Properties of Materials , 1985 , 21
Copyright
Copyright © Materials Research Society 1986

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References

REFERENCES

1. Duggan, G., J. Vac. Sci. Technol. B 3, 1224 (1985).CrossRefGoogle Scholar
2. Katnani, A. D. and Margaritondo, G., J. Appl. Phys. 54, 2522 (1983); Phys. Rev. B 28, 1944 (1983).CrossRefGoogle Scholar
3. Frensley, W. R. and Kroemer, H., J. Vac. Sci. Technol. 13, 810 (1976).CrossRefGoogle Scholar
4. Harrison, W. A., Electronic Structure and the Properties of Solids (Freeman, San Francisco, 1930), p. 253.Google Scholar
5. Tersoff, J., Phys. Rev. B 30, 4874 (1984).CrossRefGoogle Scholar
6. Pickett, W. E., Louie, S. G., and Cohen, M. L., Phys. Rev. B 17, 815 (1978); J. Ihm and M. L. Cohen, Phys. Rev. B 20, 729 (1979); W. E. Pickett and M. L. Cohen, Phys. Rev. B 18, 939 (1978).CrossRefGoogle Scholar
7. Walle, C. G. Van de and Martin, R. M., J. Vac. Sci. Technol. B3, 1256 (1985).CrossRefGoogle Scholar
8. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).CrossRefGoogle Scholar
9. Nielsen, O. H. and Martin, R. M., Phys. Rev. B 32, 3780 (1985).CrossRefGoogle Scholar
10. Bachelet, G. B., Hamann, D. R. and Schluter, M., Phys. Rev. B 26, 4199 (1982).CrossRefGoogle Scholar
11. Ceperley, D. M. and Alder, B. J., Phys. Rev. Lett. 45, 566 (1980); J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).CrossRefGoogle Scholar
12. Bendt, P. and Zunger, A., Phys. Rev. B 26, 3114 (1982).CrossRefGoogle Scholar
13. Landolt-Börnstein, , Numerical Data and Functional Relationships in Science and Technology (Springer, New York, 1982), Group III, Vol. 17.a-b.Google Scholar
14. Martin, R. M., J. Vac. Sci. Technol. 17, 978 (1980).CrossRefGoogle Scholar
15. Wang, W. I. and Stern, F., J. Vac. Sci. Technol. B3, 1280 (1985).CrossRefGoogle Scholar
16. Arnold, D., Ketterson, A., Henderson, T., Klem, J., and Morkoç, H., J. Appl. Phys. 57, 2880 (1985).CrossRefGoogle Scholar
17. Wang, W. I., Kuan, T. S., Mendez, E. E., and Esaki, L., Phys. Rev. B 31, 6890 (1985).CrossRefGoogle Scholar
18. Kunc, K. and Martin, R. M., Phys. Rev. B 24, 3445 (1981).CrossRefGoogle Scholar
19. Wang, C. S. and Pickett, W. E., Phys. Rev. Lett. 51, 597 (1983); L. J. Sham and M. Schlüter, Phys. Rev. Lett. 51, 1888 (1983); M. S. Hybertsen and S. G. Louie, Phys. Rev. B 30, 5777 (1984); Phys. Rev. Lett. 55, 1418 (1985).CrossRefGoogle Scholar
20. Sakaki, J., Chang, L. L., Ludeke, R., Chang, C. - A., Sai-Halasz, G. A., and Esaki, L., Appl. Phys. Lett. 31, 211 (1977); L. L. Chang and L. Esaki, Surf. Science 98, 70 (1980).CrossRefGoogle Scholar