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Rhenium and Tantalum-Based Transition Metal Chalcogenides: Next-Generation Materials for Optoelectronics
Abstract
Transition metal Dichalcogenides, have emerged as a novel class of two-dimensional layered materials with exceptional potential for optoelectronic applications. Due to their unique electronic band structures, strong light-matter interactions, and tunability, they bridge the gap between conventional semiconductors and low-dimensional nanomaterials. From first-principles density functional theory, the electronic band structure, and optical absorption spectra, of these chalcogenides in mono and few-layer configurations will be studied. Theoretical simulations reveal strong in-plane anisotropic dielectric functions showing their relevance in advanced light detection systems. Tantalum-based dichalcogenides, showcase a rich polymorphic phase encompassing 1T, 1T', and 2H phase. This chapter aims to provide a comprehensive theoretical foundation for researchers exploring novel transition metal dichalcogenide systems for optoelectronics and to highlight the potential of Re- and Ta-based dichalcogenides as advanced functional materials for future electronic and photonic applications.
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