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 inChinese physics B Vol. 20; no. 9; pp. 345 - 349
Main Author 刘丹丹 张红
Format Journal Article
LanguageEnglish
Published IOP Publishing 01.09.2011
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
Online AccessGet full text
ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/20/9/097105

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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.
Bibliography: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.
plasmon resonance, time-dependent density functional theory, longitudinal plasmonmode, transverse plasmon mode
11-5639/O4
Liu Dan-Dan and Zhang Hong College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
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ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/20/9/097105