Calculation of the phases coexistence spaces in the system Hg-Mn-Te-Se

Abstract

Based on the regular solution model and the standard thermodynamic functions used to describe the properties of binary states and the interaction of atoms in four-component solid solutions, the higher derivatives of the free energy of the homogeneous solid solution Hg1–xMnxTe1–ySey from the second through the eighth inclusive were calculated. Analytical expressions for the derivatives, numerical calculations and determination of the zero contours of higher derivatives were carried out on the basis of a differential topological approach using the computer mathematics system of Maxima. The sections of the phase diagram of the solid solution Hg1–xMnxTe1–ySey, the critical spaces and the coexistence spaces of phases for different temperatures were calculated. The obtained simulation results show the possibility of formation the coexistence of second-order phases regions in solid solutions Hg1–xMnxTe1–ySey.

Keywords

• solid solutions
• coexistence spaces of phases
• multicomponent systems
• computer simulation
• higher derivatives
• free Gibbs energy