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Coupled-oscillator model for hybridized optical phonon modes in contacting nanosize particles and quantum dot molecules

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Title
Coupled-oscillator model for hybridized optical phonon modes in contacting nanosize particles and quantum dot molecules
Author(s)
S.V. Koniakhin; Utesov, O.I.; Yashenkin, A.G.
Publication Date
2023-02
Journal
Physical Review Research, v.5, no.1
Publisher
American Physical Society
Abstract
Modification of optical phonon spectra in contacting nonpolar nanoparticles compared to single particles is studied. Optical phonons in dielectric and semiconducting particles obey the Euclidean metric Klein-Fock-Gordon equation with Dirichlet boundary conditions. This equation is supposed to be solved numerically for manifolds of cojoined spheres. It is proposed to replace this problem with the simpler-to-solve coupled-oscillator model (COM), where an oscillator is attributed to each phonon mode of a particle and the particle overlap leads to the appearance of additional couplings for these oscillators with the magnitude proportional to the overlap volume. For not too big overlaps, this model describes solutions of the original eigenvalue problem with a quantitative level of accuracy. In particular, it works beyond isotropic s modes in dimers, which has been demonstrated for p modes in dimers and for tetramers. It is proposed to apply the COM for the description of recently manufactured dimer nanoparticles and quantum dots. The obtained results are in agreement with the dynamical matrix method for optical phonons in nanodiamonds. The dynamical matrix method is also used to demonstrate that the van der Waals contacts between faceted particles lead to very small modifications of the optical phonon spectra, which therefore could be neglected when discussing the propagation of vibrational excitations via a nanopowder. The possibility to distinguish between dimerized and size-distributed single particles from their Raman spectra is also considered. The proposed COM paves a way towards the description of propagation of vibrational modes in the ensembles of particles in contact including tight agglomerates, nanocrystal solids, and porous media. © 2023 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.
URI
https://pr.ibs.re.kr/handle/8788114/13464
DOI
10.1103/PhysRevResearch.5.013153
ISSN
2643-1564
Appears in Collections:
Center for Theoretical Physics of Complex Systems(복잡계 이론물리 연구단) > 1. Journal Papers (저널논문)
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