| Abstract Scope |
The thermodynamic modeling of electrons and holes as well as their coupling to the non-stoichiometry and charged defects in compound semiconductors is crucial for optimizing their electronic properties. The Compound Energy Formalism (CEF) offers a comprehensive CALPHAD framework for this purpose. Utilizing CEF, we can achieve a coherent thermodynamic description that seamlessly integrates phase equilibria with defect chemistry and carrier properties. This approach has been effectively demonstrated for CdTe by the author, in collaboration with Prof. Rainer Schmid-Fetzer and colleagues (J. Electronic Materials, vol.27, No.8, 1998, pp.961-971). In this presentation, we introduce the fundamental thermodynamics of charged defects, electrons, and holes, and show how these concepts can be embedded within CEF. Several application examples will be highlighted, followed by a discussion on extending this approach to ternary and multicomponent systems. |