Annealing of Heavily Arsenic-Doped Silicon: Electrical Deactivation and a New Defect Complex

K. C. Pandey, A. Erbil, G. S. Cargill, III, R. F. Boehme, and David Vanderbilt
Phys. Rev. Lett. 61, 1282 – Published 12 September 1988
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Abstract

Ab initio total-energy calculations indicate that the formation of a new defect complex, a vacancy surrounded by four arsenic atoms, is responsible for electrical deactivation and for structural changes seen in measurements of extended x-ray-absorption fine structure when heavily arsenic-doped silicon is annealed. The vAs4 complex is energetically favored over both substitutional, isolated As in Si and substitutional SiAs4 configurations, and it is neutral and electrically inactive. The formation of such defects may be a widespread occurrence in silicon and in other semiconductors.

  • Received 6 November 1987

DOI:https://doi.org/10.1103/PhysRevLett.61.1282

©1988 American Physical Society

Authors & Affiliations

K. C. Pandey, A. Erbil*, G. S. Cargill, III, and R. F. Boehme

  • IBM Research Division, T. J. Watson Research Center, Yorktown Heights, New York 10598

David Vanderbilt

  • Lyman Laboratory of Physics, Harvard University, Cambridge, Massachusetts 02138

  • *Present address: School of Physics, Georgia Institute of Technology, Atlanta, GA 30332.

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Vol. 61, Iss. 11 — 12 September 1988

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