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Theory of DX Centers in AlxGa1-x Alloys

  • D. J. Chadi (a1) and S. B. Zhang (a1)

Abstract

A theoretical model for DX centers which explains their unusual electronic properties in terms of two distinct bonding configurations for donor impurities in AlxGa1-x As alloys is examined. The results of our ab initio self-consistent pseudo-potential calculations show that for x > ≃20%, the normal fourfold coordinated substitutional site becomes unstable with respect to a large lattice distortion. The model explains the large difference between the thermal and optical ionization energies of DX centers.

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Theory of DX Centers in AlxGa1-x Alloys

  • D. J. Chadi (a1) and S. B. Zhang (a1)

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