应变和外加电场对多层SnC电子学和光学性质的影响

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Qiang Wang , Yanni Gu , Xiaoshan Wu , Sheng Xu
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引用次数: 0

摘要

二维半导体材料在纳米光电器件的发展中起着至关重要的作用。本研究利用第一性原理计算系统地探讨了多层SnC的稳定性、电子和光学性质。声子分析表明,具有1 - 4层的SnC结构在很大的应变范围内保持稳定。带隙和光学性质可以通过层数、应变和外电场灵活调制。多层SnC的间接带隙随拉伸应变的增大而减小,随压应变的增大而增大。压缩应变的单层和双层snc经历了间接到直接的带隙转变。光谱结果表明,多层SnC在可见光和紫外波段均表现出明显的阳光吸收。在紫外范围内,随着层数的增加,吸收强度增强。此外,拉伸应变和正电场的作用导致光谱逐渐红移,而压缩应变引起蓝移。这些可调谐的电子和光学特性表明多层SnC在纳米光电器件的设计中具有巨大的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effects of strain and an external electric field on the electronic and optical properties of mutilayer SnC
Two-dimensional semiconducting materials play a crucial role in advancing nano-optoelectronic devices. This study systematically explores stability, electronic and optical properties of multilayer SnC using first-principles calculations. The phonon analysis reveals that the SnC structures with one to four layers remain stable across a wide range of strains. The band gaps and optical properties can be flexibly modulated by layer number, strain, and an external electric field. The indirect bandgap of multilayer SnC decreases as tensile strain increases but expands with increasing compressive strain. Compressively strained monolayer- and bilayer-SnC undergo an indirect-to-direct bandgap transition. The optical spectra reveal that multilayer SnC exhibits significant sunlight absorption across the visible and ultraviolet regimes. In the ultraviolet range, the absorption intensity enhances as the layer count increases. Additionally, the application of tensile strain and a positive electric field leads to a gradual redshift of the optical spectra, while compressive strain causes a blueshift. These tunable electronic and optical properties suggest that multilayer SnC holds great potential for the design of nano-optoelectronic devices.
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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