Abstract
The In2O3-SnO2-ZnO system is of special interest for applications as transparent conducting oxides and also transparent semiconductors. In the present work, a thermodynamic assessment for this system is discussed using all available experimental data on phase equilibria and thermodynamic properties. All sub-systems including elemental combinations were considered in order to generate a self-consistent Gibbs energy dataset for further calculation and prediction of thermodynamic properties of the system. The modified associate species model was used for the description of the liquid phase. Particular attention was given to two significant solid solution phases: Spinel with the formula Zn(2-x)Sn(1-x)In2xO4 based on Zn2SnO4 and Bixbyite based on In2O3 and extending strongly toward the SnZnO3 composition according to the formula In(2‑2x)SnxZnxO3. In addition to the component oxides, nine quasi-binary compounds located in the In2O3-ZnO binary subsystem have also been included in the database as stoichiometric phases.
Highlights
Compositions in the In2O3– SnO2–ZnO ternary oxide system are of interest owing to their optical transparency combined with high electrical conductivity [1, 2]
Transparent conducting oxides (TCOs) are applied usually in film form, the study of bulk phase relations and physical properties can be useful for understanding fundamental materials properties
Bixbyite is described in this work as solid solution phase based on In2O3 using the atomic sublattice model (In, Zn, Va)1(In, Sn)1(O)3 assuming that the first and second sublattices can be occupied by metal atoms while the third contains oxygen atoms only
Summary
Compositions in the In2O3– SnO2–ZnO ternary oxide system are of interest owing to their optical transparency combined with high electrical conductivity [1, 2]. Thermodynamic modelling on the basis of reliable experimental data and appropriate Gibbs energy models for solid and liquid phases is a powerful tool for calculation and prediction of the thermodynamic properties and phase equilibria for various systems. The Gibbs energy of the liquid phase has been modelled using a non-ideal associate solution model proposed by Besmann and Spear [7] This model has been successfully applied for the description of melts containing oxides and sulphides in our previous studies, e.g. in [8,9,10]. Bixbyite is described in this work as solid solution phase based on In2O3 using the atomic sublattice model (In, Zn, Va)1(In, Sn)1(O) assuming that the first and second sublattices can be occupied by metal atoms while the third contains oxygen atoms only. The molar Gibbs energy of this phase was expressed using the compound energy formalism [15, 16] as follows: Gm y y G y y G I II o In In In2O3
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