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引用次数: 0
摘要
二维材料的探索进展迅速,导致一系列技术领域的显著进步,包括纳米电子学,光子学和热电器件。这些材料的特点是其特殊的结构和电子特性,这赋予了3D材料许多优势。虽然最初的研究主要集中在石墨烯上,但新的多晶结构的发现大大扩展了二维材料的范围,引入了新的化合物,如过渡金属二硫族化合物(TMDs)、氮化硼和磷烯。本研究重点分析了γ-Si2XY (X/Y = S, Se, Te)单分子层的结构、电子和光学性质,重点了解了它们在应变下的行为和不对称Janus结构引起的新物理现象。这些发现有助于更广泛地理解和优化二维材料,增强其未来技术应用的潜力。
Novel Insights into Strain-Driven Modifications in Electronic, Optical, and Charge Distribution Properties of Janus γ-Si2XY (X/Y = S, Se, Te) Monolayers
The exploration of 2D materials has progressed rapidly, resulting in notable advancements across a range of technological domains, including nanoelectronics, photonics, and thermoelectric devices. These materials are distinguished by their exceptional structural and electronic properties, which confer numerous advantages over their 3D counterparts. While initial research is primarily focused on graphene, the discovery of new polymorphic structures has significantly expanded the scope of 2D materials, introducing novel compounds such as transition metal dichalcogenides (TMDs), boron nitride, and phosphorene. This study focuses on the analysis of the structural, electronic, and optical properties of the monolayers of γ-Si2XY (X/Y = S, Se, Te), with an emphasis on understanding their behavior under strain and the novel physical phenomena induced by asymmetric Janus structures. The findings contribute to a broader understanding and optimization of 2D materials, enhancing their potential for future technological applications.
期刊介绍:
Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including:
materials, chemistry, condensed matter physics
engineering, energy
life science, biology, medicine
atmospheric/environmental science, climate science
planetary science, astronomy, cosmology
method development, numerical methods, statistics