Thermodynamic description of the ternary compounds in the Cu-In-Se system

Jianyun Shen, W. K. Kim, Shunli Shang, Maoyou Chu, Song Cao, T. J. Anderson

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13 Scopus citations


A set of thermodynamic descriptions of the ternary compounds (mainly α-CuInSe2, δ-CuInSe2, CuIn3Se5 and CuIn5Se8) in the Cu-In-Se system was established by adopting sub-lattice model. The model parameters are carefully evaluated by integrating the experimental data of thermodynamic properties, phase equilibrium and theoretical calculation of formation energies of different point defects. The evaluated Gibbs energies of the compounds reasonably agree with that estimated from EMF experiment and ab initio calculation. The calculated phase relationships in the Cu-In-Se system are in accord with the experimental phase diagrams. The obtained standard enthalpy of formation of CuInSe2 is close to that reported in the literatures.

Original languageEnglish (US)
Pages (from-to)481-487
Number of pages7
JournalRare Metals
Issue number5
StatePublished - Oct 2006

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Metals and Alloys
  • Materials Chemistry


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