Abstract
We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference in single nanowires that damp chiral response in these systems and to achieve intense plasmonic circular dichroism (CD) through a coupling between the nanostructures. We predict a huge enhancement of circular dichroism at the plasmon resonance when two chiral nanowires are intimately coupled in an achiral relative arrangement. Such an effect is even more pronounced when two chiral nanowires are coupled in a chiral relative arrangement. Individual component maps of rotator strength, partial contributions according to the magnetic dipole component, and induced densities allow us to fully rationalize these findings, thus opening the way to the field of plasmonic CD and its rational design.
Highlights
Among the wide variety of phenomena which emerge at the nanoscale régime, the localized surface plasmon resonance (LSPR), typical of nanostructured metals, plays a major role in nanotechnology due to its ability of focusing the electromagnetic field with a high energy density in a small region of space [1–3]
We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers
The calculated plasmon was very intense in absorption, but no circular dichroism (CD) signal was found at the energy of the plasmon resonance [23]
Summary
Among the wide variety of phenomena which emerge at the nanoscale régime, the localized surface plasmon resonance (LSPR), typical of nanostructured metals, plays a major role in nanotechnology due to its ability of focusing the electromagnetic field with a high energy density in a small region of space [1–3]. This effect has direct application in enhanced spectroscopic techniques, such as surface enhanced Raman spectroscopy [4], and in single-molecule spectroscopy [5,6]. Contribution from theoretical insight and understanding is dramatically required
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