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The Extended Discrete Interaction Model: Plasmonic Excitations of Silver Nanoparticles
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology. Federal Siberian Research Clinical Centre under FMBA of Russia, Kolomenskaya 26, Krasnoyarsk 660037, Russia; Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia.
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology. Department of Physics, Kaunas University of Technology, Kaunas LT-51368, Lithuania.ORCID iD: 0000-0003-2729-0290
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.ORCID iD: 0000-0002-0716-3385
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.
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2019 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 123, no 47, p. 28867-28880Article in journal (Refereed) Published
Abstract [en]

We present a new atomistic model for plasmonic excitations and optical properties of metallic nanoparticles, which collectively describes their complete response in terms of fluctuating dipoles and charges that depend on the local environment and on the morphology of the composite nanoparticles. Being atomically dependent, the total optical properties, the complex polarizability, and the plasmonic excitation of a cluster refer to the detailed composition and geometric characteristics of the cluster, making it possible to explore the role of the material, alloy mixing, size, form shape, aspect ratios, and other geometric factors down to the atomic level and making it useful for the design of plasmonic particles with particular strength and field distribution. The model is parameterized from experimental data and, at present, practically implementable for particles up to more than 10 nm (for nanorods even more), thus covering a significant part of the gap between the scales where pure quantum calculations are possible and where pure classical models based on the bulk dielectric constant apply. We utilized the method to both spherical and cubical clusters along with nanorods where we demonstrate both the size, shape, and ratio dependence of plasmonic excitations and connect this to the geometry of the nanoparticles using the plasmon length.

Place, publisher, year, edition, pages
2019. Vol. 123, no 47, p. 28867-28880
National Category
Other Physics Topics Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-264485DOI: 10.1021/acs.jpcc.9b07410ISI: 000500417600040Scopus ID: 2-s2.0-85075663919OAI: oai:DiVA.org:kth-264485DiVA, id: diva2:1373783
Note

QC 20191129

Available from: 2019-11-28 Created: 2019-11-28 Last updated: 2020-02-19Bibliographically approved
In thesis
1. Multicomponent Resonant Nanostructures: Plasmonic and Photothermal Effects
Open this publication in new window or tab >>Multicomponent Resonant Nanostructures: Plasmonic and Photothermal Effects
2019 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

In recent decades, plasmonic nanoparticles have attracted considerable attention due to their ability to localize electromagnetic energy at a scale much smaller than the wavelength of optical radiation. The study of optical plasmon waveguides (OPWs) in the form of chains of nanoparticles is important for modern photonics. However, the widespread use of OPWs is limited due to the suppression of the resonance properties of classical plasmon materials under laser irradiation. The study of the influence of nanoparticle heating on the optical properties of waveguides and the search for new materials capable of stable functioning at high temperatures is an important task.

In this thesis, the processes occurring during heating of plasmon nanoparticles and OPWs are studied. For this purpose, a model was developed that takes into account the heat transfer between the particles of an OPW and the environment. The calculations used temperature-dependent optical constants. As one of possible ways to avoid thermal destabilization of plasmon resonanses, new materials for OPWs formed by nanoparticles were proposed. I show that titanium nitride is a promising thermally stable material, that might be useful for manufacturing of OPWs and that works in high intensity laser radiation.

Another hot topic at present is the study of periodic structures of resonant nanoparticles. Periodic arrays of nanoparticles have a unique feature: the manifestation of collective modes, which are formed due to the hybridization of a localized surface plasmon resonance or a Mie resonance and the Rayleigh lattice anomaly. Such a pronounced hybridization leads to the appearance of narrow surface lattice resonances, the quality factor of which is hundreds of times higher than the quality factor of the localized surface plasmon resonance alone. Structures that can support not only electric, but also magnetic dipole resonances becomes extremely important for modern photonics on chip systems. An example of a material of such particles is silicon. Using the method of generalized coupled dipoles, I studied the optical response of arrays of silicon nanoparticles. It is shown that under certain conditions, selective hybridization of only one of the dipole moments with the Rayleigh anomaly occurs.

To analyze optical properties of intermediate sized particles with N = 103-105 atoms and diameter of particle d < 12 nm an atomistic approach, where the polarizabilities can be obtained from the atoms of the particle, could fill an important gap in the description of nanoparticle plasmons between the quantum and classical extremes. For this purpose I introduced an extended discrete interaction model where every atom makes a difference in the formation optical properties of nanoparticles within this size range. In this range are first principal approaches not applicable due to the high number of atoms and classical models based on bulk material dielectric constants are not available due to high influence from quantum size effects and corrections to the dielectric constant. To parametrize this semi-empirical model I proposed a method based on the concept of plasmon length. To evaluate the accuracy of the model, I performed calculations of optical properties of nanoparticles with different shapes: regular nanospheres, nanocubes and nanorods. Subsequently, the model was used to calculate hollow nanoparticles (nano-bubbles).

Place, publisher, year, edition, pages
Stockholm, Sweden: KTH Royal Institute of Technology, 2019. p. 72
Series
TRITA-CBH-FOU ; 2019:69
Keywords
plasmonics, photonics, nanoparticles
National Category
Natural Sciences
Research subject
Theoretical Chemistry and Biology
Identifiers
urn:nbn:se:kth:diva-264507 (URN)978-91-7873-395-8 (ISBN)
Public defence
2019-12-19, Room nr: B4:1026 Code: FB42, Roslagstullsbacken 21, Huvudbyggnaden, floor 4, AlbaNova, Stockholm, 10:00 (English)
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Note

QC 2019-11-28

Available from: 2019-11-28 Created: 2019-11-28 Last updated: 2019-11-28Bibliographically approved

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Zakomirnyi, VadimRinkevicius, ZilvinasBaryshnikov, Gleb V.Sørensen, Lasse K.Ågren, Hans

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