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RARE METALS Vol.25, No. 5, Oct 2006,p. 481

Vol.25, No. 5, Oct 2006,p. 481
Thermodynamic description of the ternary compounds in the Cu-In-Se
SHEN Jianyun1'2),W.K.Kim `I, SHANG Shunli", CHU Maoyou2),CAO Song2',and T.J. Anderson
1)Departmentof ChemicalEngineering,University of Florida, Gainesville,FL 32611, USA
2) GeneralResearch Institutefor Non-ferrous Metalsof Beijing, 100088Beijing, China
(Received 2006-06-21)
Abstract: A set of thermodynamic descriptions of the ternary compounds (mainly a-CuInSe2, GCUI~SQ,CuIn3Se5and
CuIn$k8) in the Cu-h-Se systemwas established by adoptingsub-latticemodel. The model parametersare carefully evalu-
ated by integrating the experimental data of thermodynamicproperties, phase equilibrium and theoretical calculation of
formationenergiesof differentpoint defects.The evaluated Gibbsenergiesof the compoundsreasonably agreewith that es-
timated from EMF experiment and ab initio calculation.The calculatedphase relationships in the Cu-In-Se system are in
accord with the experimental phase diagram. The obtained standard enthalpy of formation of CuInSezis close to that re-
ported in the literatures.
Key words: Cu-In-Sesystem;thermodynamics;Gibbs energy;defectcompound
1. Introduction
Since the chalcopyrite CuInSe2 (CIS) was first
synthesized in 1953, the Cu-In-Se ternary system
has attracted considerable attention due to its appli-


Source: Anderson, Timothy J. - Chemical Engineering Department, University of Florida


Collections: Materials Science