In this work, we developed a technology for growing a single crystal of a ternary compound, using the Atomic Force Microscope (AFM), we studied the surface microrelief in 2D and 3D modes, using X-ray diffraction (XRD) analysis, determined the parameters of the unit cell of this phase and revealed that it crystallizes in tetragonal symmetry with lattice parameters a = 8.345 Å and c = 6.8352 Å, space group I4/mcm. Using the density functional method, using the ABINIT software package, using the Troiller–Martins pseudopotentials in the basis of plane waves, the band structure was calculated, the origin of the valence and conduction bands was determined. It was revealed that this phase is a direct-gap semiconductor with a bandgap of 0.56 eV. The parameters of the InGaTe₂ unit cell were calculated by the pseudopotential and linearized attached plane wave (LAPW) methods, the theoretical and experimental values of the lattice parameters are in good agreement. Based on the band structure, the effective masses of electrons and holes are determined. It is shown that the tensors of the inverse effective mass for both extreme have a diagonal form.

中文翻译：

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InGaTe2链状半导体的合成、XRD分析及电子结构

在这项工作中，我们开发了一种生长三元化合物单晶的技术，使用原子力显微镜 (AFM)，我们研究了 2D 和 3D 模式下的表面微起伏，使用 X 射线衍射 (XRD) 分析，确定了该相的晶胞参数，并揭示它以四方对称的晶格参数结晶一种 = 8.345 Å 和C = 6.8352 Å，空间群 I4/mcm。使用密度泛函方法，使用ABINIT软件包，利用平面波基础上的Troiller-Martins赝势，计算能带结构，确定价带和导带的起源。结果表明，该相是带隙为 0.56 eV 的直接带隙半导体。InGaTe ₂晶胞参数采用赝势和线性附加平面波(LAPW)方法计算，晶格参数的理论值和实验值吻合较好。基于能带结构，确定电子和空穴的有效质量。结果表明，两个极端的反有效质量的张量都具有对角线形式。