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

• 作 者: 刘丹丹 张红
• 机 构: College of Physical Science and Technology,Sichuan University,
• 出 处: Chinese Physics B
• 发表日期: 2011年09期
• 关键词: chains plasmon longitudinal dipole metallic length collective converge split tra

We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio timedependent 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.

We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio timedependent 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. 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.