https://doi.org/10.1140/epjp/s13360-024-04883-z
Regular Article
Structural evolution, interlayer coupling, band-gap, and optical properties of non-layered SiCNSs
1
Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, 066004, Qinhuangdao, China
2
School of Mechanical Engineering, Yanshan University, 066004, Qinhuangdao, China
3
School of Mathematics and Physics, Nanyang Institute of Technology, 473000, Nanyang, China
Received:
21
October
2023
Accepted:
8
January
2024
Published online:
19
January
2024
Silicon carbide nanosheets (SiCNRs) have a broad application prospect in the new generation of micro/nanophotonic devices. Based on the previous study of layered SiCNSs (FL-SiCNSs), the first-principles calculation of non-layered SiCNSs (NL-SiCNSs) is carried out in this paper. According to the lattice structure and its evolution, the interlayer coupling mechanism of NL-SiCNSs is revealed. The lattice structure, band-gap, and optical properties of NL-SiCNSs and FL-SiCNSs with different thicknesses (molecular layers) are studied, and the effect of the interlayer coupling mechanism on the optical properties of SiCNSs is analyzed systematically. Results show that non-layered SiCNSs show strong reflection in the vertical direction, indicating that they can be used in UV reflectors. This research can provide a theoretical basis for the application of two-dimensional silicon carbide materials in electronics, optics, and other fields.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjp/s13360-024-04883-z.
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