Dipolar coupling of nanoparticle-molecule assemblies : an efficient approach for studying strong coupling
Fojt, J., Rossi, T. P., Antosiewicz, T. J., Kuisma, M., & Erhart, P. (2021). Dipolar coupling of nanoparticle-molecule assemblies : an efficient approach for studying strong coupling. Journal of Chemical Physics, 154(9), Article 094109. https://doi.org/10.1063/5.0037853
Julkaistu sarjassa
Journal of Chemical PhysicsPäivämäärä
2021Tekijänoikeudet
© 2021 the Authors
Strong light–matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range. Here, we demonstrate that the optical spectra of nanoparticle-molecule assemblies, including strong coupling effects, can be predicted with good accuracy using a subsystem approach, in which the response functions of different units are coupled only at the dipolar level. We demonstrate this approach by comparison with previous time-dependent density functional theory calculations for fully coupled systems of Al nanoparticles and benzene molecules. While the present study only considers few-particle systems, the approach can be readily extended to much larger systems and to include explicit optical-cavity modes.
...
Julkaisija
American Institute of PhysicsISSN Hae Julkaisufoorumista
0021-9606Asiasanat
Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/51813243
Metadata
Näytä kaikki kuvailutiedotKokoelmat
Rahoittaja(t)
Suomen AkatemiaRahoitusohjelmat(t)
Tutkijatohtori, SALisätietoja rahoituksesta
e gratefully acknowledge the Knut and Alice Wallenberg Foundation (Grant No. 2019.0140, J.F., P.E.), the Swedish Research Council (Grant No. 2015-04153, J.F., P.E.), the Academy of Finland (Grant Nos. 332429, T.P.R; 295602, M.K.), and the Polish National Science Center (Grant No. 2019/34/E/ST3/00359, T.J.A.). The computations were enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC) at NSC, C3SE, and PDC partially funded by the Swedish Research Council through Grant Agreement No. 2018-05973 as well as by the CSC—IT Center for Science, Finland, by the Aalto Science-IT project, Aalto University School of Science, and by the Interdisciplinary Center for Mathematical and Computational Modeling, University of Warsaw (Grant No. G55-6). ...Lisenssi
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
Plasmon Excitations in Mixed Metallic Nanoarrays
Conley, Kevin M.; Nayyar, Neha; Rossi, Tuomas P.; Kuisma, Mikael; Turkowski, Volodymyr; Puska, Martti J.; Rahman, Talat S. (American Chemical Society, 2019)Features of the surface plasmon from macroscopic materials emerge in molecular systems, but differentiating collective excitations from single-particle excitations in molecular systems remains elusive. The rich interactions ... -
Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory : An Efficient Tool for Analyzing Plasmonic Excitations
Rossi, Tuomas P.; Kuisma, Mikael; Puska, Martti J.; Nieminen, Risto M.; Erhart, Paul (American Chemical Society, 2017)Electronic excitations can be efficiently analyzed in terms of the underlying Kohn-Sham (KS) electron-hole transitions. While such a decomposition is readily available in the linear-response time-dependent density-functional ... -
Interaction between surface plasmon polaritons and molecules in strong coupling limit
Baieva, Svitlana (University of Jyväskylä, 2016)Miniaturization of optical elements and their integration to electronic circuits is limited by diffraction limit. It was realized that light being coupled to surface plasmons (SP) can overcome this limit. Employing also ... -
Charge Transfer Plasmons in Dimeric Electron Clusters
Selenius, Elli; Malola, Sami; Kuisma, Mikael; Häkkinen, Hannu (American Chemical Society, 2020)The tunability of the optical response of dimers of metal clusters and nanoparticles makes them ideal for many applications from sensing and imaging to inducing chemical reactions. We have studied charge transfer plasmons ... -
Nanodevices by DNA based gold nanostructures
Tapio, Kosti (University of Jyväskylä, 2017)In this thesis DNA based structures were utilized to create gold nanostructures for nanosensing and nanoelectronic applications. In the past, both of these fields have been dominated by the conventional lithography methods, ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.