A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic chains

We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time- dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two...

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Bibliographic Details
Published in:Chinese physics B 2011-09, Vol.20 (9), p.345-349
Main Author: 刘丹丹 张红
Format: Article
Language:English
Subjects:
Density functional theory
Detection
Dipoles
Energy gap
Gold
Plasmons
Spectroscopy
单分子检测
原子链
密度泛函理论
时间依赖
横向模式
等离子体共振
线性
金属链
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Summary:We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time- dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two transverse modes. As the chain length increases, the longitudinal plasmon mode is redshifted in energy while the transverse modes shift in the opposite direction （blueshifts）. In addition, the energy gap between the two transverse modes reduces with chain length increasing. We find that there are unique characteristics, different from those of other metallic chains. These characteristics are crucial to atomic-scale engineering of single-molecule sensing, optical spectroscopy, and so on.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/20/9/097105