First-Principles Study of the Stability of the TiC-ZrC Solid Solutions

First-principles calculations were carried out in order to estimate stability of the Ti _1-x Zr _x C solid solutions (alloys). Lattice parameter, total energy, formation energy, phonon spectra were investigated as functions of composition. Spinodal and binodal decompositions of the alloys take place over a wide range of compositions and temperatures. It was established that lattice vibrations play an important role in reducing the consolute temperature of the solid solution stabilization.