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Plasmonic response of metallic nanojunctions driven by single atom motion: quantum transport revealed in optics

AutorMarchesin, Federico ; Koval, P. ; Barbry, Marc; Aizpurua, Javier ; Sánchez-Portal, Daniel
Fecha de publicación2016
CitaciónIPC–PAMS Theory Workshop (2016)
ResumenThe correlation between transport properties across sub-nanometric metallic gaps and the optical response of the system is a complex effect that, similarly to the near-field enhancement, is determined by the fine atomic-scale details of the junction structure. Using ab initio calculations, we present here a study of the simultaneous evolution of the structure and the optical response of a plasmonic junction as the particles forming the cavity, two Na380 clusters, approach and retract. Atomic reorganizations are responsible for a large hysteresis of the plasmonic response of the system, which shows a jump-to-contact instability during the approach process and the formation of an atom-sized neck across the junction during retraction. Our calculations show that, due to the quantization of the conductance in metal nanocontacts, atomic-scale reconfigurations play a crucial role in determining the optical response. We observe abrupt changes in the intensities and spectral positions of the plasmon resonances, and find a one-to-one correspondence between these jumps and those of the quantized transport as the neck cross-section diminishes. These results point out to an unforeseen connection between transport and optics at the atomic scale, which is at the frontier of current optoelectronics.
DescripciónResumen del póster presentado al IPC–PAMS Theory Workshop: "Towards reality in modelling of molecular electronics", celebrado en Donostia-San Sebastián (España) del 13 al 17 de junio de 2016.
URIhttp://hdl.handle.net/10261/161017
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