Phase Equilibria in the Quasi-Ternary System Cu2Se-In2Se3-CuI and the Crystal Structure of the AIBIII2XVI3YVII Compounds, Where AI-Cu, Ag; BIII-Ga; XVI-Cl, Br, I; YVII-S, Se, Te

IF 1.5 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-06 DOI:10.1007/s11669-023-01073-9
I. A. Ivashchenko, V. S. Kozak, L. D. Gulay, V. V. Galyan
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Abstract

The quasi-ternary system Cu2Se-In2Se3-CuI has been investigated by x-ray diffraction and differential thermal analysis. The isothermal section at 770 K and the liquidus surface projection of the system have been built. For the first time, the primary crystallization regions, and the coordinates of the invariant and monovariant equilibria have been determined. In the system, the regions of the solid solutions based on the binary, ternary, and quaternary compounds have been investigated. The formation of the CuIn2Se3I quaternary compound, which melts congruently at 1213 K and has a homogeneity region of 15 and 9 mol.% CuI within the composition triangle has been established. For the first time, the crystal structures of CuGa2Te3I and AgGa2Te3Br compounds have been studied using a powder method. They crystallize in the tetragonal symmetry, Space Group I-4, a = 5.9147(4) Å, c = 11.952(2) Å for CuGa2Te3I; a = 6.2977(3) Å, c = 11.9473(7) Å for AgGa2Te3Br compound, respectively. The connection of their structures with the structures of the defective diamond-like semiconductors has been discussed.

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准三元体系 Cu2Se-In2Se3-CuI 中的相平衡以及 AIBIII2XVI3YVII 化合物(其中 AI-Cu、Ag;BIII-Ga;XVI-Cl、Br、I;YVII-S、Se、Te)的晶体结构
通过 X 射线衍射和差热分析研究了 Cu2Se-In2Se3-CuI 准三元体系。建立了该体系在 770 K 时的等温截面和液面投影。首次确定了主要结晶区域以及不变平衡和单变平衡的坐标。在该体系中,研究了基于二元、三元和四元化合物的固溶体区域。我们确定了 CuIn2Se3I 四元化合物的形成过程,该化合物在 1213 K 时熔化一致,并且在组成三角形内具有 15 和 9 摩尔% CuI 的均匀性区域。首次使用粉末方法研究了 CuGa2Te3I 和 AgGa2Te3Br 化合物的晶体结构。它们的晶体呈四方对称,空间群为 I-4,CuGa2Te3I 的 a = 5.9147(4) Å,c = 11.952(2) Å;AgGa2Te3Br 化合物的 a = 6.2977(3) Å,c = 11.9473(7) Å。讨论了它们的结构与有缺陷的类金刚石半导体结构之间的联系。
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来源期刊
Journal of Phase Equilibria and Diffusion
Journal of Phase Equilibria and Diffusion 工程技术-材料科学:综合
CiteScore
2.50
自引率
7.10%
发文量
70
审稿时长
1 months
期刊介绍: The most trusted journal for phase equilibria and thermodynamic research, ASM International''s Journal of Phase Equilibria and Diffusion features critical phase diagram evaluations on scientifically and industrially important alloy systems, authored by international experts. The Journal of Phase Equilibria and Diffusion is critically reviewed and contains basic and applied research results, a survey of current literature and other pertinent articles. The journal covers the significance of diagrams as well as new research techniques, equipment, data evaluation, nomenclature, presentation and other aspects of phase diagram preparation and use. Content includes information on phenomena such as kinetic control of equilibrium, coherency effects, impurity effects, and thermodynamic and crystallographic characteristics. The journal updates systems previously published in the Bulletin of Alloy Phase Diagrams as new data are discovered.
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