Abstract
The techniques recently developed for the calculation of III-V ternary phase diagrams have been extended to the calculation of distribution coefficients of impurities in III-V semiconductors. The distribution coefficients are calculated with no adjustable parameters, the calculation requiring only the temperatures and entropies of fusion, binary phase diagrams and lattice parameters of the relevant III-V compounds, and the tetrahedral covalent radii, electronegativities, molar volumes and atomization energies of the donor impurities and group III and V elements concerned. The calculation is carried out for common donors S, Se, Te and Sn at the melting points of the III-V compounds GaP, GaAs, GaSb, InP, InAs and InSb, and the results compared with experimental results where available. In GaAs and GaP, the distribution coefficients are calculated vs temperature for solidification from the group III rich melt.
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