Theory of the Atomic and Electronic Structure of DX Centers in GaAs and AlxGa1xAs Alloys

D. J. Chadi and K. J. Chang
Phys. Rev. Lett. 61, 873 – Published 15 August 1988
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We propose that DX is a negatively charged defect center resulting from the "reaction" 2d0d++DX where d represents a substitutional donor. The results of our pseudopotential calculations for Si- and S-induced DX centers in GaAs indicate large dopant-dependent relaxations leading to threefold-coordinated interstitial sites for either the donor or one of its nearest neighbors. A simple expression for the alloy composition and pressure dependence of the DX binding energy is suggested and used in an analysis of experimental data.

  • Received 24 May 1988


©1988 American Physical Society

Authors & Affiliations

D. J. Chadi and K. J. Chang

  • Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304

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Vol. 61, Iss. 7 — 15 August 1988

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