Molecular simulation study of miscibility in In_(x)Ga_(1-x)N ternary alloys

摘要

Monte Carlo molecular simulation is applied to calculate miscibility behavior of a valence force-field model of InGaN alloy as a function of temperature. Calculations find that the upper critical solution temperature is 1550 K, in good agreement with previous studies based on regular solution theory. The simulations show that the excess entropy is small, and the excess enthalpy is insensitive to temperature, indicating that the regular-solution treatment is appropriate for this system.