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First-Principles Study of the New Layered Ternary Metal Telluride, Eu₂InTe₅



Author(s)

Yiming Yu, Yuchen Zou and Jianan Bian

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DOI:10.17265/2161-6221/2024.1-3.002

School of Science, Jiliang University, Hangzhou 310018, China

In this study, we performed first-principles calculations using the VASP (Vienna Ab initio Simulation) software package to investigate the crystal structure, electronic structure, and optical properties of a new layered ternary metal chalcogenide, Eu₂InTe₅. Our results show that Eu₂InTe₅ is a non-zero-gap metal with a layered structure characterized by strong intra-layer atomic bonding and weak inter-layer interaction, which suggests its potential application as a nanomaterial. We also studied the optical properties, including the absorption coefficient, imaginary and real parts of the complex dielectric constant, and found that Eu₂InTe₅ exhibits strong photoresponse characteristics at the junction of ultraviolet and visible light as well as blue-green light, with peaks at wavelengths of 389 nm and 477 nm. This suggests that it could be used in the development of UV (ultraviolet) detectors and other optoelectronic devices. Furthermore, due to its strong absorption, low loss, and low reflectivity, Eu₂InTe₅ has the potential to be used as a promising photovoltaic absorption layer in solar cells.

Ternary metal telluride, first-principles calculations, layered structure, optical properties.