Optical Properties of Metal Subwavelength Structures for Realistic Geometries in a Dielectric Matrix Using DDA: an Error Analysis

Abstract

A comprehensive study of the error analysis for discrete dipole approximation (DDA) technique applied to simulation of thin film plasmonic solar cell using silver (Ag) and aluminium (Al) nanoparticles has been shown. We have considered a simulation model that gives an estimate of error for sensitive optical properties in nanoplasmonic geometries. The simulations done in the present article establish that the absorption and scattering efficiency calculations are possible with an arbitrary accuracy domain for different materials and sizes. It has been observed that the sufficient discretization of nanostructures in dipoles can restrict the error up to 5 % or less. As a proof of concept, an estimate of error vs. discretization has been calculated for Ag and Al metals in Si3N4 matrix which is also an antireflecting coating used in solar cells. It was accounted that for the particle spherical in shape and of a size of 70 nm discretized with a number of dipoles 10 5 , optimized optical parameters can be calculated accurately in 400-600 for AgSi3N4 spectral range with an error of less than 5.4957 %, and for AlSi3N4, the error is less than 3.8596 %. The results of the current article will be helpful to access the accuracy of efficiency calculations done for subwavelength plasmonic photovoltaic in the near IR region for 20 to 160 nm size.

Wulff-Based Approach to Modeling the Plasmonic Response of Single Crystal, Twinned, and Core–Shell Nanoparticles

“…The shapes were modeled with an interdipole distance range of 0.3−2.6 nm depending on the total size, shape, and material of the NP (Tables S1 and S2), with no fewer than 10 5 dipoles, except for cubes, to ensure accuracy. 39 The convergence of the results with the number of dipoles was investigated only for the smallest NPs (Figures S2−S5) as larger NPs are expected to require fewer dipoles to get results with the same accuracy. 39 In all cases, the incident light is modeled having two orthogonal polarizations, an approach commonly used to mimic unpolarized light, and propagates along the highest symmetry axis of the particle, that is, perpendicular to a face for the cube, along the direction of the 4-fold axis for the octahedron, along the direction of the 5-fold axis for the sharp and Marks decahedron, and perpendicular to the twin plane for the bipyramid and triangle.…”

“…37 In FDTD 33 the space and time derivatives that appear in Maxwell's equations are replaced by finite differences, therefore requiring a discretization over both time and space, the latter achieved by a grid of cuboid elements; the problem is then solved iteratively until a steady-state solution is achieved, where the error is better defined than in DDA. 38,39 In the case of FEM, space discretization is achieved using elements, usually tetrahedral, for which the Helmholtz equation is satisfied along with appropriate conditions to ensure continuity and a consistent solution. 35 The DDA is a hugely successful and popular method because in general, it requires comparatively low computational power, depending of course on the dipole number and interdipole distance.…”

Numerical Simulation of Broadband Scattering by Coated and Noncoated Metal Nanostructures Using Discrete Dipole Approximation Method

“…The DDA is strongly adaptable concerning the geometry of the structure, so it can be used to calculate the optical properties of arbitrary shape as well as regular structures. DDA technique has no limitations regarding the complexity or the nature of the object [37][38][39]. The applicability of DDA is satisfied if |m|kd<1, where m is defined as the refractive index of the target material and k≡ 2π λ , where λ represents the wavelength and d is the interdipole separation.…”

Study of Broadband Tunable Properties of Surface Plasmon Resonances of Noble Metal Nanoparticles Using Mie Scattering Theory: Plasmonic Perovskite Interaction

“…By choosing various types of metal nanogeometries, the propagating and non-propagating excitation of surface plasmon resonance (SPR) can be tailored in desired range of wavelength. Mostly, the plasmonic resonances of noble MNPs lie in the visible to infrared region of the electromagnetic spectrum where the photovoltaic applications exist [11][12][13]. These plasmonic resonances were highly influences with the size, shape and the dielectric environment.…”