PHASECALC: A code for the calculation of pseudobinary phase diagrams using no adjustable parameters

Abstract

Pseudobinary phase diagrams are often used in the analysis of ternary semiconductor compounds of the form B 1− x A x C where A, B and C are the pure elements and 0⩽ x⩽1. The code PHASECALC is used for the calculation of pseudobinary phase diagrams. The code utilizes the Stringfellow method, and a modification of this method, to perform this calculation using no adjustable parameters. PHASECALC computes the temperature dependent solidus and liquidus lines as a function of mole fraction x. PHASECALC requires the following input data: enthalpy of fusion, melting temperature, and lattice constant for the pure binary compounds (AB and BC), electronegativity, molecular weight, density and energy of vaporization for the pure elements A and B.