Exploring electro-optical properties of novel two-dimensional disilicon carbide through strain engineering

IF 3.5 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Materials Science Pub Date : 2025-03-20 DOI:10.1007/s10853-025-10793-x

Huabing Shu

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引用次数: 0

Abstract

Based on theoretical calculations (PBE + G₀W₀ + BSE), novel two-dimensional bisilicon carbide (Si₂C) monolayer is systematically investigated under biaxial strains. The stability of pristine Si₂C monolayer has been confirmed by its phonon spectrum, and its dynamic stability can be kept across a broad strain range. The explored monolayer exhibiting a buckling configuration is predicted to be an indirect semiconductor with a moderate energy gap. The nature and magnitude of the bandgap can be significantly modulated through strain engineering, wherein a tensile strain of + 3.2% induces an indirect-direct bandgap transition. In addition, pristine Si₂C monolayer shows a significant light absorption (> 10⁶ cm⁻¹) for the visible part of incident solar radiation. Tensile strain can induce a prominent red-shift in the optical spectrum and significantly enhance near-infrared light absorption. As a result, the strain-tuned properties of novel Si₂C monolayer render it a promising semiconductor for optoelectronic applications.

Graphical abstract

Electro-optical properties of novel two-dimensional disilicon carbide under strains.

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来源期刊

Journal of Materials Science 工程技术-材料科学：综合

CiteScore

7.90

自引率

4.40%

发文量

1297

审稿时长

2.4 months

期刊介绍： The Journal of Materials Science publishes reviews, full-length papers, and short Communications recording original research results on, or techniques for studying the relationship between structure, properties, and uses of materials. The subjects are seen from international and interdisciplinary perspectives covering areas including metals, ceramics, glasses, polymers, electrical materials, composite materials, fibers, nanostructured materials, nanocomposites, and biological and biomedical materials. The Journal of Materials Science is now firmly established as the leading source of primary communication for scientists investigating the structure and properties of all engineering materials.