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纳米粒子的局域表面等离激元(LSP)由于其新颖的光学特性成为目前国内外研究的热点之一.本文利用含时密度泛函理论(TDDFT)对金属团簇及石墨烯纳米结构中的等离激元激发及调制的物理本质进行了研究.和宏观大小的材料相比,由于纳米结构的尺寸和量子受限效应,纳米结构的等离激元具有一些不同的特征.在低能共振区,光谱线发生展宽,并且发生劈裂.由于纳米单体间的电磁耦合作用,使聚合的纳米结构表现出了与单体不同的光学性质.这些结果为等离激元的调控提供了坚实的理论指导.
Local surface plasmon polaritons (LSPs) of nanoparticles have become one of the hot topics at home and abroad because of their novel optical properties.In this paper, we use time-dependent density functional theory (TDDFT) to study the effects of metal clusters and graphene nanostructures The physical nature of plasmonic excitation and modulation has been studied.Compared with macro-sized materials, nanostructured plasmons have some different characteristics due to the size and quantum confinement effect of nanostructures.In low-energy resonance Region, the spectral lines broadened, and the splitting occurred.As a result of the electromagnetic coupling between the nanostructures, the polymerized nanostructures showed different optical properties than the monomers.These results provided a solid foundation for the regulation of plasmons Theoretical guidance.