Calculation of phase equilibria in the Ga-Bi and Ga-P-Bi systems based on a theory of regular associated solutions |
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Authors: | A S Jordan |
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Affiliation: | (1) Bell Laboratories, 07974 Murray Hill, NJ |
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Abstract: | A new theory of regular associated solutions (RAS) has been formulated to provide a consistent representation of binary and
ternary phase equilibria in the Ga-P-Bi system. The key postulate of the theory is that the major species in liquid alloys
are Ga, P, and Bi atoms and Bi2 dimers. At first, the gross component activities in the Ga-Bi binary system are approximated from the dimer dissociation
constant,K, and the activity coefficients of the three species (identified here with the coefficients for a ternary regular solution).
The accord observed between the form of the isothermal activity data and the theory permits the determination ofK and the Ga-Bi interchange energy. These parameters are then employed in the calculation of the enthalpy and entropy of mixing
and the prediction of the liquidus curve and asymmetric miscibility gap for the Ga-Bi system, all of which are in good agreement
with the experimental findings. Generalization of the enthalpy and entropy of mixing for a binary RAS facilitates the derivation
of the activities in the ternary system. Knowledge of the activities leads to the evaluation of the ternary liquidus isotherms
over the entire composition range, since the Bi-P interchange energy can be obtained from the GaP-Bi pseudobinary liquidus
data. It is found that along the pseudobinary the standard error between calculated and experimental liquidus points is 7°
C. Furthermore, in P-rich liquid solutions, at any temperature below ≈R 1380°C, an open miscibility gap intersects the primary
liquidus isotherms of Bi-doped GaP. The predicted miscibility gap in the Bi-P system is consistent with the fragmentary evidence.
Finally, the paper discusses extensions of the RAS model to other ternary systems involving compound semiconductors wherein
association in the liquid is likely. |
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