Search results for "optiset ominaisuudet"
showing 10 items of 29 documents
How much is enough? : The convergence of finite sample scattering properties to those of infinite media
2021
We study the scattering properties of a cloud of particles. The particles are spherical, close to the incident wavelength in size, have a high albedo, and are randomly packed to 20% volume density. We show, using both numerically exact methods for solving the Maxwell equations and radiative-transfer-approximation methods, that the scattering properties of the cloud converge after about ten million particles in the system. After that, the backward-scattered properties of the system should estimate the properties of a macroscopic, practically infinite system. (C) 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.o…
Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters
2020
| openaire: EC/H2020/838996/EU//RealNanoPlasmon Electronic circular dichroism (ECD) is a powerful spectroscopy method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional theory (LR-TDDFT) framework can be prohibitively costly for large systems. To alleviate this problem, we present here an ECD implementation within the projector augmented-wave method in a real-time-propagation TDDFT framework in the open-source GPAW code. Our implementation supports both local atomic basis sets and real-space finite-difference representations of wave functions. We benchmark our implementation against an existin…
Chlorophyll Concentration Retrieval by Training Convolutional Neural Network for Stochastic Model of Leaf Optical Properties (SLOP) Inversion
2020
Miniaturized hyperspectral imaging techniques have developed rapidly in recent years and have become widely available for different applications. Combining calibrated hyperspectral imagery with inverse physically based reflectance models is an interesting approach for estimating chlorophyll concentrations that are good indicators of vegetation health. The objective of this study was to develop a novel approach for retrieving chlorophyll a and b values from remotely sensed data by inverting the stochastic model of leaf optical properties using a one-dimensional convolutional neural network. The inversion results and retrieved values are validated in two ways: A classical machine learning val…
Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling
2021
Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of materials properties. 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 the different units are coupled only a…
Enhanced Surface Ligands Reactivity of Metal Clusters by Bulky Ligands for Controlling Optical and Chiral Properties.
2021
Surface ligands play critical roles in determining the surface properties of metal clusters. However, modulating the properties and controlling the surface structure of clusters through surface‐capping agent displacement remain a challenge. In this work, a silver cluster, [Ag 14 (SPh(CF 3 ) 2 ) 12 (PPh 3 ) 4 (DMF) 4 ] ( Ag 14 ‐DMF , where HSPh(CF 3 ) 2 is 3,5‐bis(trifluoromethyl)benzenethiol, PPh 3 is triphenylphosphine and DMF is N,N‐Dimethylformamide), with weakly coordinated DMF ligands on the surface silver sites, was synthesized by using a mixed ligands strategy (bulky thiolates, phosphines and small solvents). The as‐prepared Ag 14 ‐DMF is a racemic mixture of chiral molecules. Owing …
Plasmon Excitations in Mixed Metallic Nanoarrays
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 between single-particle electron-hole and collective electron excitations produce phenomena related to the chemical physics aspects within the atomic array. We study the plasmonic properties of atomic arrays of noble (Au, Ag, and Cu) and transition-metal (Pd, Pt) homonuclear chains using time-dependent density functional theory and their Kohn-Sham transition contributions. The response to the electromagnetic radiation is related to both the geometry-dependent confinement…
Influence of Fano resonance on SERS enhancement in Fano-plasmonic oligomers
2019
Plasmonic oligomers can provide profound Fano resonance in their scattering responses. The sub-radiant mode of Fano resonance can result in significant near-field enhancement due to its light trapping capability into the so-called hotspots. Appearance of these highly localized hotspots at the excitation and/or Stokes wavelengths of the analytes makes such oligomers promising SERS active substrates. In this work, we numerically and experimentally investigate optical properties of two disk-type gold oligomers, which have different strength and origin of Fano resonance. Raman analysis of rhodamine 6G and adenine with the presence of the fabricated oligomers clearly indicates that an increment …
Charge Transfer Plasmons in Dimeric Electron Clusters
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 in separate and linked dimers of closed-shell electron clusters of 8 and 138 electrons using time-dependent density functional theory. The simple model clusters enable the systematic study of the charge transfer phenomenon from the electronic perspective. To identify the charge transfer plasmons, we have developed an index, the Charge Transfer Ratio, for quantifying the charge transfer nature of the excitations. In addition, we analyze the induced transition density and th…
Optimizing geometry of low-Q all-metal Fabry-Pérot microcavity for fluorescence spectroscopy
2021
Abstract Fluorescence spectroscopy is commonly employed to study the excited-state photophysics of organic molecules. Planar Fabry-Pérot microcavities play an essential role in such studies and a strategic cavity design is necessary to attain an enhanced light-matter interaction. In this work, we computationally study different geometries for a planar metallic Fabry-Pérot microcavity tuned for the absorption of Sulforhodamine 101, a typical dye for fluorescence spectroscopy. The cavity consists of a polymer layer enclosed between two silver mirrors, where the thicknesses of all the three layers are varied to optimize the cavity. Our transfer-matrix and finite-difference time-domain simulati…
Numerical study on the limit of quasi-static approximation for plasmonic nanosphere
2019
Plasmonic nanospheres are often employed as resonant substrates in many nanophotonic applications, like in enhanced spectroscopy, near-field microscopy, photovoltaics, and sensing. Accurate calculation and tuning of optical responses of such nanospheres are essential to achieve optimal performance. Mie theory is widely used to calculate optical properties of spherical particles. Although, an approximated version of Mie approach, the quasi-static approximation (QSA) can also be used to determine the very same properties of those spheres with a lot simpler formulations. In this work, we report our numerical study on the limit and accuracy of QSA with respect to the rigorous Mie approach. We c…