Localized surface plasmon resonances of a metal nanoring,Physical Chemistry Chemical Physics

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Localized surface plasmon resonances of a metal nanoring
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020-09-22 , DOI: 10.1039/d0cp04216a
Junais Habeeb Mokkath _{1,

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3,

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Affiliation

Using the linear combination of atomic orbitals real-time-propagation rt-TDDFT technique (LCAO-rt-TDDFT) and transition contribution maps, we study the optical and plasmonic features of a metal nanoring (made up of sodium atoms) with respect to the modulation in the ring thickness from a sharp edge (one-atom-thick) to a flat edge (four-atoms-thick). The birth of the localized surface plasmon resonance was accessed by many factors including the number of contributing electron–hole transitions, the relative strengths of these contributions, and the nature of the induced charge density oscillation. We reveal that the occurrence of a large number of contributing electron–hole transitions to an absorption peak cannot be treated as an indicator of plasmonicity. Nonetheless, plasmonicity can be accessed from the transition contribution map (occurrence of many spots with strong contributions and distributed on a large domain of energy) and from the profile of the induced charge density. Our results are useful for designing ultra-small plasmonic devices based on metal nanorings as building blocks.

中文翻译：

金属纳米环的局部表面等离子体激元共振

使用原子轨道实时传播rt-TDDFT技术（LCAO-rt-TDDFT）和跃迁贡献图的线性组合，我们研究了金属纳米环（由钠原子组成）相对于纳米线的光学和等离子体特性。从尖锐边缘（一个原子厚）到平坦边缘（四个原子厚）调整环的厚度。局部表面等离子体激元共振的诞生受到许多因素的影响，包括贡献的电子-空穴跃迁的数量，这些贡献的相对强度以及感应电荷密度振荡的性质。我们发现，大量贡献的电子-空穴跃迁到吸收峰的发生不能被视为等离子性的指标。尽管如此，可以从跃迁贡献图（许多具有强贡献并分布在较大能量域中的点出现）和感应电荷密度的分布图获取等离子性。我们的结果对于设计基于金属纳米环作为构建基块的超小型等离子体设备很有用。

更新日期：2020-10-19

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