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Impurity-Defect Complexes in Hydrogenated Amorphous Silicon

  • Lin H. Yang (a1), C. Y. Fong (a2) and Carol S. Nichols (a3)


The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H) - a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping - have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using firstprinciples self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results, we have studied the electronic and structural properties of substitutional fourfoldcoordinated phosphorus and boron at the second neighbor position to a dangling bond defect. We demonstrate that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H.



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1. Street, R. A., Phys. Rev. Lett. 49, 1187 (1982);
J. Non-Cryst. Sol. 77&78, 1 (1985).
2. Robertson, J., Phys. Rev. B 28, 4647 (1983).
3. Chen, I. and Jansen, F., Phys. Rev. B 29, 3759 (1984).
4. Robertson, J., Phys. Rev. B 31, 3817 (1985).
5. Street, R. A., Biegelsen, D. K., and Knights, J. C., Phys. Rev. B 24, 265 (1981).
6. Dersch, H., Stuke, J., and Biechler, J., Phys. Status Solidi B 105, 265 (1981).
7. Kocka, J., J. Non-Cryst. Sol. 90, 91 (1987).
8. Kocka, J., Vanecek, M., and Schauer, F., J. Non-Cryst. Sol. 97&98, 715 (1987).
9. Guttman, L. and Fong, C. Y., Phys. Rev. B 26, 6756 (1982).
10. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964);
Kohn, W. and Sham, L. J., Phys. Rev. 140, A1133 (1965).
11. Hamann, D. R., Phys. Rev. B 40, 2980 (1989).
12. Kleinman, L. and Bylander, D. M., Phys. Rev. Lett. 48, 1425 (1982).
13. Teter, M. P., Payne, M. C., and Allan, D. C., Phys. Rev. B 40, 12255 (1989).
14. von Roedern, B., Ley, L., Cardona, M., and Smith, F. W., Phil. Mag. B 40, 433 (1979).
15. Adler, D., in Physical Properties of Amorphous Materials, edited by Adler, D., Schwartz, B. B., and Steele, M. C. (Plenum, New York, 1985), pg. 5.
16. Gelatos, A. V., Mahvadi, K. K., Cohen, J. D., and Harbison, J. P., Appl. Phys. Lett. 53, 403 (1988).

Impurity-Defect Complexes in Hydrogenated Amorphous Silicon

  • Lin H. Yang (a1), C. Y. Fong (a2) and Carol S. Nichols (a3)


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