Phase diagram calculations of multicomponent systems, a tool for tailoring thermoelectric materials

Abstract

Performance enhancement of thermoelectric modules can be obtained by a good knowledge of the materials constitution involved in their fabrication. It depends on a relevant thermodynamic analysis of the material. In this paper we present a computational approach of the phase equilibria in multicomponent systems used in thermoelectric materials: phase diagrams useful for lead telluride materials and build up of a thermodynamic database useful for thermoelectric applications such as skutterudites.