TY - JOUR
T1 - Thermodynamic assessment of the Ga–Se–Te system
AU - Liu, Yuheng
AU - Dou, Zhichao
AU - Enoki, Masanori
AU - Oyama, Yutaka
AU - Otani, Hiroshi
N1 - Funding Information:
The authors gratefully acknowledge the financial support by JSPS KAKENHI (grant number, 16H02387 ).
Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2020/12
Y1 - 2020/12
N2 - In this study, the Ga–Te binary system was reassessed by means of the CALPHAD method using a modified lattice stability parameter for Te as well as experimental data for this binary system. The two-sublattice ionic solution model was applied for the liquid phase, and the intermediate phases were described by the sublattice model. A set of self-consistent thermodynamic parameters was optimized for all the phases in the Ga–Te binary system, which reproduced the phase diagram and the thermodynamic properties well. Using the reevaluated Ga–Te system, previously assessed Ga–Se system, and modified Se–Te system, a critical evaluation of the Ga–Se–Te ternary system was performed. The calculated vertical sections, isothermal sections, and liquidus projection agreed reasonably well with the experimental data. Immiscibility in the liquid phase was observed, and the origin of this behavior is discussed from a thermodynamic perspective.
AB - In this study, the Ga–Te binary system was reassessed by means of the CALPHAD method using a modified lattice stability parameter for Te as well as experimental data for this binary system. The two-sublattice ionic solution model was applied for the liquid phase, and the intermediate phases were described by the sublattice model. A set of self-consistent thermodynamic parameters was optimized for all the phases in the Ga–Te binary system, which reproduced the phase diagram and the thermodynamic properties well. Using the reevaluated Ga–Te system, previously assessed Ga–Se system, and modified Se–Te system, a critical evaluation of the Ga–Se–Te ternary system was performed. The calculated vertical sections, isothermal sections, and liquidus projection agreed reasonably well with the experimental data. Immiscibility in the liquid phase was observed, and the origin of this behavior is discussed from a thermodynamic perspective.
KW - CALPHAD
KW - Ga–Se–Te system
KW - Short-range ordering
KW - Thermodynamic assessment
KW - Two-sublattice ionic solution model
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U2 - 10.1016/j.calphad.2020.102206
DO - 10.1016/j.calphad.2020.102206
M3 - Article
AN - SCOPUS:85094174163
SN - 0364-5916
VL - 71
JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
M1 - 102206
ER -