Finite-difference Time-domain Research Articles

Enhancing mid-infrared surface phonon polariton modes: optimization of structural parameters in Nb-doped SrTiO3 with hole array structures for advanced infrared sensors

This study utilized the finite difference time domain method to investigate the mid infrared surface phonon polaritons and localized surface phonon resonances in undoped and niobium (Nb)-doped SrTiO3 (STO) with planar and holes array structures. Research has shown that Nb-doped STO operates in the Reststrahlen band of 8.06–18.48 µm, providing a wider spectral response than undoped STO (12.58–18.26 µm) and effectively covering the atmospheric window of long wave infrared. This indicates that the increase in virtual permittivity has the least impact on spectral broadening, indicating that the new infrared sensor technology has broad prospects. The optimization of structural parameters, including the period, filling factor, and depth of STO holes array, as well as the response to changes in incident light angle, is crucial for guiding the design of high-performance optoelectronic devices. In addition, this study explored the excitation of four resonant modes within a holes array and analyzed their relationship with array parameters to enhance the design of optoelectronic applications.

Selective Enhancement of Viewing Angle Characteristics and Light Extraction Efficiency of Blue Thermally Activated Delayed Fluorescence Organic Light-Emitting Diodes through an Easily Tailorable Si3N4 Nanofiber Structure.

We selectively improved the viewing angle characteristics and light extraction efficiency of blue thermally activated delayed fluorescence (TADF) organic light-emitting diodes (OLEDs) by tailoring a nanofiber-shaped Si3N4 layer, which was used as an internal scattering layer. The diameter of the polymer nanofibers changed according to the mass ratio of polyacrylonitrile (PAN) and poly(methyl methacrylate) (PMMA) in the polymer solution for electrospinning. The Si3N4 nanofiber (SNF) structure was fabricated by etching an Si3N4 film using the PAN/PMMA nanofiber as a mask, making it easier to adjust parameters, such as the diameter, open ratio, and height, even though the SNF structure was randomly shaped. The SNF structures exhibited lower transmittance and higher haze with increasing diameter, showing little correlation with their height. However, all the structures demonstrated a total transmittance of over 80%. Finally, by applying the SNF structures to the blue TADF OLEDs, the external quantum efficiency was increased by 15.6%. In addition, the current and power efficiencies were enhanced by 23.0% and 25.6%, respectively. The internal light-extracting SNF structure also exhibited a synergistic effect with the external light-extracting structure. Furthermore, when the viewing angle changed from 0° to 60°, the peak wavelength and CIE coordinate shift decreased from 20 to 6 nm and from 0.0561 to 0.0243, respectively. These trends were explained by the application of Snell's law to the light path and were ultimately validated through finite-difference time-domain simulations.

A linearly polarized light emission with a composite nanowire grating in whole white band

To obtain a highly linearly polarized light, a composite model consisting of white light emission, anti-reflection film, and metal-dielectric-metal nanowire grating was designed, analyzed, optimized, and fabricated. Based on the finite-difference time-domain method, the impacts of material, period, height, and incidence angle on the polarization performance of the composite model were discussed. The metal-dielectric-metal nanowire grating was fabricated on blue chip and fluorescent ceramics using nanoimprint technology. The employed materials of metal-dielectric-metal nanowire grating were aluminum and PMMA, with the period of 200 nm, wire width of 100 nm, and the height of metal and dielectric were 100 nm and 120 nm. Additionally, the anti-reflection film consisting of PMMA with the thickness of 45 nm was incorporated on fluorescent ceramics to enhance energy efficiency. Finally, through a series of test experiments, the composite model can be realized by the extinction ratio of 40 dB, while the transmittance of TM mode exceeds 50% at 450–750 nm. The theoretical analysis of this study is verified by experiments, and it has significant potential in the pursuit of high brightness, ultra-thin micro displays.

Triple band diamond-shaped polarization insensitive plasmonic nano emitter for thermal camouflage and radiative cooling

This study proposes the design of a novel Metal-Insulator-Metal (MIM) nano-infrared emitter that uses a unique diamond-shaped grating to achieve selective infrared absorption. Diamond-shaped nano emitter (DNE) structure exhibits four narrow resonant peaks within key absorption windows such as short-wave infrared (SWIR) mid-wave infrared (MWIR), alongside with a wide absorption band in the Non-Transmissive Infrared Range (NTIR) for thermal camouflage applications compatible with radiative cooling. Moreover, the proposed DNE is polarization insensitive as it has an in-plane symmetric design. Using the 3D Finite-Difference Time-Domain (FDTD) simulations, we demonstrate the nanoantenna’s superior performance characterized by its high absorption rates and tuned effective impedance matching. As of our knowledge, the findings suggest that this is the first time that a MIM structure achieved multiple narrow resonance peaks, located in SWIR and MWIR simultaneously, with a wide absorption range in NTIR. Represented DNE stands as a significant innovation in the field of stealth technology, providing a tunable, high-efficiency solution for managing and controlling thermal emissions across diverse applications.

Multiphysics simulations of a cylindrical waveguide optical switch using phase change materials on silicon

This work presents the design and multiphysics simulation of a cylindrical waveguide-based optical switch using germanium-antimony-tellurium (GST) as an active phase change material. The innovative cylindrical architecture is theoretically analyzed and evaluated at 1550 nm wavelength for telecommunication applications. The dispersion relation is derived analytically for the first time to model the optical switch, while finite element method (FEM) and finite difference time domain (FDTD) techniques are utilized to simulate the optical modes, light propagation, and phase change dynamics. The fundamental TE01 and HE11 modes are studied in detail, enabling switching between low-loss amorphous and high-loss crystalline GST phases. Increasing the GST thickness is found to increase absorption loss in the crystalline state but also slows down phase transition kinetics, reducing switching speeds. A 10 nm GST layer results in competitive performance metrics of 0.79 dB insertion loss, 13.47 dB extinction ratio, 30 nJ average power consumption, and 3.5 Mb/s bit rate. The combined optical, thermal, and electrical simulation provides comprehensive insights towards developing integrated non-volatile photonic switches and modulators utilizing phase change materials.

Surface-Enhanced Raman Spectroscopy of Ammonium Nitrate Using Al Structures, Fabricated by Laser Processing of AlN Ceramic

This work presents results on laser-induced surface structuring of AlN ceramic and its application in Surface-Enhanced Raman Spectroscopy (SERS). The laser processing is performed by nanosecond pulses in air and vacuum. Depending on the processing conditions, different surface morphology can be obtained. The ablation process is realized by ceramic decomposition as the formation of an aluminium layer is detected. The efficiency of the fabricated structures as active substrates in SERS is estimated by the ability of the detection of ammonium nitrate (NH4NO3). It is conducted for Raman spectrometer systems that operate at wavelengths of 514 and 785 nm where the most common commercial systems work. The obtained structures contribute to enhancement of the Raman signal at both wavelengths, as the efficiency is higher for excitation at 514 nm. The limit of detection (LOD) of ammonium nitrate is estimated to be below the maximum allowed value in drinking water. The analysis of the obtained results was based on the calculations of the near field enhancement at different conditions based on Finite Difference Time Domain simulation and the extinction spectra calculations based on Generalized Mie scattering theory. The structures considered in these simulations were taken from the SEM images of the real samples. The oxidation issue of the ablated surface was studied by X-ray photoelectron spectroscopy. The presented results indicated that laser structuring of AlN ceramics is a way for fabrication of Al structures with specific near-field properties that can be used for the detection of substances with high social impact.

Multispectral nano-cavity-based plasmonic refractive index sensor: Higher bulk and surface sensitivity for detection of biological analytes

In this paper, a Nano-cavity based multispectral plasmonic refractive index sensor for prostate-specific antigen (PSA) detection was investigated. The proposed structure includes two cavities in the form of a T and E shape inside a metal layer. The validity of the findings was verified through the use of the 3D finite difference time domain (FDTD) method. The identification of biomolecules is difficult for conventional biosensors in which there is a very limited amount of analyte, other metrics should be used. In most cases, there is enough analyte to completely cover the sensing surface. Here, in addition to bulk sensitivity, the surface sensitivity was analyzed. The proposed structure has three resonance modes. According to our findings, the designed structure has a bulk sensitivity of 958.3 nm/RIU for the third mode (mode III), 550 nm/RIU for the second mode (mod II), and 637.1 for the first mode (mode I). Having three resonance modes makes this structure a suitable option for use in multispectral applications. The surface sensitivity of 429.4, 457.6, and 465.5 nm/RIU was obtained for surface layer thicknesses of 3.5 nm, 5 nm, and 6.5 nm, respectively. Our results show the proposed structure has good potential in different biological applications.

Optofluidic SERS based on Ag nanocubes with high sensitivity for detecting a prevalent water pollutant.

To enhance the integration and practical applicability of the Raman detection system, silver nanocubes (Ag NCs) were synthesized using a polyol method. A liquid-liquid interface approach was employed to transfer a monolayer of Ag NCs "film" onto a SiO2 substrate, resulting in the fabrication of a highly sensitive and uniform surface-enhanced Raman scattering (SERS) substrate denoted as "Ag NCs@SiO2." The electromagnetic field distribution of various dimers on the Ag NCs@SiO2 was analyzed using finite difference time domain (FDTD) software. The results reveal that the electromagnetic enhancement effect is most pronounced in cube-cube dimers, indicating that Ag NCs exhibit superior localized surface plasmon resonance (LSPR) response due to their well-defined geometric regularity and sharp geometric angles. For Rhodamine 6G (R6G) probe molecules, the Ag NCs@SiO2 shows ultrahigh sensitivity, with a limit of detection (LOD) of 10-12 mol/L, and the enhancement factor (EF) can reach 1.4 × 1010. The relative standard deviation (RSD) at the main characteristic peaks is below 10%, demonstrating good consistency in substrate performance. In addition, the Ag NCs@SiO2 modified with hexanethiol exhibits high sensitivity, uniformity, and repeatability in detecting for pyrene, with the LOD of 10-8 mol/L and a minimum RSD of 6.09% at the main characteristic peak, and effective recognition capabilities for pyrene and anthracene in mixed solutions. Finally, chemisorption and physisorption strategies were prepared in optofluidic channels and experimentally compared, enabling real-time detection of the pyrene solution. This method can achieve a rapid detection and precise differentiation of polycyclic aromatic hydrocarbons in a water pollutant.

Graphene-integrated microring cavity for electronically controlled molecular fingerprinting

Microring cavities supporting whispering-gallery modes (WGMs) have an exceptionally high quality factor (Q) and a small mode volume, greatly improving the interaction between light and matter, which has attracted great attention in various microscale/nanoscale photonic devices and potential applications. Recently, two-dimensional van der Waals (vdW) materials such as graphene have emerged as a potential platform for next-generation biosensing by enabling the confinement of light fields at the nanoscale. Here, we propose what we believe to be a novel approach to achieve molecular fingerprint retrieval by integrating graphene into a microring cavity and conducting numerical simulations using the finite-difference time-domain (FDTD) method. The hybrid cavity exhibits high-quality WGMs with a high Q factor of up to 800. Moreover, the resonant wavelength can be electronically controlled through modulation of graphene’s Fermi level, enabling coverage of the entire free spectral range at infrared frequencies. By depositing a thin layer of biomolecular material (e.g., CBP) onto the surface of our hybrid cavity, we are able to accurately read out the absorption spectrum at multiple spectral points, thereby achieving broadband fingerprint retrieval for the targeted biomolecule. Our results pave the way for highly sensitive, chip-integrated, miniaturized, and electrically modulated infrared spectroscopy biosensing.

Detection of surface enhanced Raman scattering active hotspot using near field scanning optical microscopy

Hotspots are high-intensity electromagnetic zones that form, for example, at the interstitials of plasmonic nanoaggregates, resulting in a considerable rise in the enhancement factor. However, it is inevitable to achieve specific nanometric geometry as well as a suitable technique to capture the details of hotspots. We report near-field surface-enhanced Raman scattering (SERS) spectroscopy of a well-defined gold nanoaggregate of a few nanoparticles adsorbed with a small number of target analytes. A spectrally and spatially resolved SERS measurement setup using an aperture near-field scanning optical microscope (a-NSOM) facilitated the direct observation of localized electromagnetic (EM) fields at the interstitials through SERS. Correlated optical image and corresponding nanometric geometry were captured through the home-built a-NSOM setup. Near-field SERS spectra were recorded at different sites of interest. It was evident that the interstitial positioned at the center of the tetramer provided the most intense Raman scattering, implying the possibility of a SERS-active hotspot therein. SERS bands of the spectrum of the Raman-active dye Rhodamine 6G recorded at the same hotspot coincided well with those reported so far. It was noteworthy that most of the SERS bands in such scenery got enhanced. Such direct observation with high spatial resolution is indispensable to understanding the origin of localized EM fields at “hotspots” and the EM enhancement factor in the SERS process. A finite-difference time-domain (FDTD) analysis was carried out to validate the results.

Optimizing thin-film silicon solar cells with nanostructured TiO2 and a silver back reflector for enhanced energy conversion efficiency

This paper investigates the improvement of energy conversion efficiency in thin-film silicon solar cells by employing periodic nanostructures of TiO2 on the silicon active layer and a back reflector featuring periodic nanostructures of silver. The objective is to increase the optical path length, enhance absorption probability for longer wavelengths, and subsequently improve solar cell performance. Three silicon-based solar cell configurations are proposed and simulated using the finite difference time domain (FDTD) method to assess their performance. Electrical characteristics are obtained through the drift-diffusion method. The resulting short-circuit current density increased from 40.93 to 65.28 to 95.373mA/cm2 for the three cells, leading to significant improvements in conversion efficiency with observed values of 20.39%, 33.26%, and 47.28%, respectively, in the optimized structures. Furthermore, we compare the simulation results of the three structures with those of a reference structure and several structures previously proposed in the literature.

Programmable Colloids with Analogous Hypercoordination Complex Architectures.

Colloidal molecule clusters (CMCs) are promising building blocks with molecule-like symmetry, offering exceptional synergistic properties for applications in plasmonics and catalysis. Traditional CMC fabrication has been limited to simple molecule-like structures utilizing isotropic particles. Here, we employ molecular dynamics simulation to investigate the co-assembly of anisotropic nanorods (NRs) and the stimulus-responsive polymer (SRP) via reversible adsorption. The results of the simulation show that it is possible to fabricate hypercoordination complex structures with high symmetry from the co-assembly of NRs and the SRP, even in analogy to the Th(BH4)4 structure. The coordination number of these CMCs can be precisely programmed by adjusting the shape and size of the ends of the NRs and the SRP cohesion energy. Furthermore, a finite-difference time-domain simulation indicates these hypercoordination structures exhibit significantly enhanced optical activity and plasmonic coupling effects. These findings introduce a new design approach for complex molecule-like structures utilizing anisotropic nanoparticles and may expand the applications of CMCs in photonics.

A low loss silicon waveguide bend based on width and curvature variations

A simple, low loss and compact 90° SOI waveguide bend constructed by using an inner circular curve and an outer Euler-circular curve was proposed, optimal designed and fabricated. By adopting this simple structure, the width and curvature of the waveguide bend can be varied simultaneously, which can effectively suppress both the mode mismatch loss and the radiation loss. Three-dimensional finite difference time domain simulation results indicate a very low excess loss of about 0.0056 dB can be achieved for equivalent bending radius of 2 μm. By using the cut-back method, a low loss of about 0.0175 dB at 1550 nm was measured, which is less than one quarter of the traditional circular bend. In addition, the wavelength dependence for the proposed SOI waveguide bend was investigated and 0.0088 dB–0.0247 dB was measured in the wavelength range of 1480∼1580 nm.

Surface plasmonic hot hole driven Ag2S/Au/Al2O3 photocathode for enhanced photoelectrochemical water splitting performance

Herein, Ag2S/Au/Al2O3 photoelectrode was fabricated for superior photoelectrochemical (PEC) water splitting response. The working electrodes were deposited using the glancing angle deposition (GLAD) method followed by RF sputtering and atomic layer deposition (ALD). The as-prepared Ag2S/Au/Al2O3 samples revealed a higher photocurrent density of 2.50 mA/cm2 (at 0.95 V Ag/AgCl) as compared to bare Ag2S (1.70 mA/cm2) with a corresponding less charge transfer resistance at the semiconducting interface. The superior PEC response may be ascribed to the synergic effect of plasmonic Au nanoparticles and the tilted Ag2S nanorods. The plasmonic effect of Au nanoparticles increases the visible-light response of Ag2S as well as provides the hot holes to enhance the photocurrent density. In addition, the increased trapping of light due to the tilted architecture of Ag2S nanorods resulted in an effective absorption of light. The theoretical simulations based on finite difference time domain (FDTD) were also performed to explore the distribution of the electric-field intensity and optical trapping of light between the nanorods of Ag2S and Ag2S/Au. The experimental and theoretical results show a deeper insight into the role of plasmonic nanostructures decorated Ag2S nanorods and shed light on designing hybrid hot hole harvesting semiconductor nanostructures for the next generation photoelectrodes.

Multichannel Dynamic Sound Rendering and Echo Suppression in a Room Using Wave Field Synthesis

With multichannel sound rendering systems, an immersive sound can be experienced by a broader audience. Rendering of a stationary source is widely studied in the literature. However, a dynamic sound, where the source’s position is continuously changing, provides improved source localization and a listener experience more immersed in the rendered sound. This paper investigates the multichannel sound rendering of a dynamic sound source using a wave field synthesis method in a reverberant shoe-box room model. Finite difference time domain is employed to visualize the reproduced sound field in the time domain. To address the challenge of room echo-induced degradation in sound quality, a method is presented in which the reflected sound is compensated by rendering the primary source’s images from the auxiliary actuators, enhancing SNR by approximately 2–3.5 dB.

Effects of graphene doping and gas adsorption on the peak positions of graphene plasmon resonance and adsorbate infrared absorption

The peak positions of graphene plasmon resonance can be controlled to overlap with those of the infrared absorption spectra of gas molecules, allowing highly sensitive detection and identification by graphene nanoribbons. In this study, we investigate the adsorption of gas molecules, including SO2, SO3, H2S, and NH3, on graphene and characterize its effects on the relative positions of the two peaks using density functional theory and the finite difference time domain method. It is demonstrated that the binding energies are stronger, and the amounts of charge transfer are greater in the case of SO2 and SO3 adsorbed on n-doped graphene than in other cases. Electron acceptance by SO2 and SO3 adsorbates on n-doped graphene redshifts the graphene plasmon resonance peaks and their stretching and wagging infrared absorption peaks. However, the former is significantly further redshifted, leading to narrower peak-position-matching ribbon widths in n-doped graphene than in p-doped graphene. The amounts of charge transfer are relatively small regardless of the doping type in the case of NH3 and H2S, mitigating the doping-type dependence compared to SO2 and SO3. The wagging peaks of NH3 on n-doped graphene are shown to be further blueshifted than on p-doped graphene, rendering their peak-position-matching ribbon widths further closer to each other. These results suggest that the effects of doping and adsorption on the two types of peaks should be considered to optimize the performance of graphene plasmon-based gas sensing and identification.

An improved two‐dimensional (2,4) finite‐difference time‐domain method for Lorentz dispersive media

AbstractThe credible solution of discretized Maxwell's equations in spaces occupied by Lorentz dispersive media is the main subject of this work. Specifically, we introduce a finite‐difference time‐domain (FDTD) algorithm with a typical (2,4) structure that features dispersion‐relation‐preserving characteristics and produces reduced numerical errors in two‐dimensional electromagnetic simulations, compared to the standard approach with similar computational requirements. We consider the case of dispersive media with non‐vanishing absorption coefficients and investigate different options for the suitable modification of the spatial approximations, so that the accomplished accuracy is optimized for a given computational overhead. The properties of the proposed FDTD technique are thoroughly examined, both theoretically and in numerical tests, and the performance upgrade compared with the conventional solution is assessed.

Enhancing azimuth estimation in low-resolution underwater acoustic lens systems for advanced communication and positioning

Here we aimed to enhance azimuth estimation to accurately locate a communication partner’s position by utilizing a low-resolution underwater acoustic lens system for communication. We proposed a method to accurately estimate the direction-of-arrival (DoA) by finding the center of gravity of the focal distribution using two adjacent elements of the transducer array. Ranging was to be based on time-of-flight (ToF). The method’s effectiveness was evaluated by two-dimensional finite difference time domain simulation. The lens’s focused sound field was calculated and the array was designed based on the result. DoA and ToF were estimated from the received signals and evaluated by comparing them with the true values under conditions involving 1-, 2-, and 3- users. The results confirmed DoA estimation with an error of almost 4°, even when using a lens system with an azimuth resolution of 10°. As the number of users increased, the maximum error value increased, though slightly.

Probing Inherent Optical Anisotropy in Substrates via Direct Nanoimaging of Mie Scattering.

In this study, we investigated the optical properties of a transition metal dichalcogenide (TMD) substrate via Mie-scattering-induced surface analysis (MISA). Employing near-field optical microscopy and finite-difference time-domain (FDTD) simulations, we systemically prove and directly visualize the Mie scattering of superspherical gold nanoparticles (s-AuNPs) at the nanoscale. Molybdenum disulfide substrates exhibited optical isotropy, while rhenium disulfide (ReS2) substrates showed anisotropic behavior attributed to the interaction with incident light's electric field. Our study revealed substantial anisotropic trends in Mie scattering, particularly in the near-infrared energy range, with ReS2 exhibiting more pronounced spectral and angular responses in satellite peaks. Our results emphasize the application of Mie scattering, exploring the optical properties of substrates and contributing to a deeper understanding of nanoscale light-matter interactions.

Effect of exceptional point on the performance of a bistable all-optical switch.

Microring cavities based on whispering-gallery modes (WGMs) have a very high-quality factor (Q) and a small mode volume, greatly improving the interaction between light and matter, which has attracted great attention in microlaser, nonlinear, and sensing fields. Plasmonics in the microcavity further enhance compression of the optical field. Recently, research on enhanced optical sensing sensitivity and low threshold laser based on exceptional points (EPs) is quite impressive. In this work, we propose a new, to our knowledge, all-optical switch by using the bistable effect under the EP of an ultra-compact plasmonic racetrack resonator and perform numerical simulations using the finite-difference time-domain (FDTD) method. The introduction of EPs further enhances the localization of the light field and thus improves the Kerr nonlinear effect of the microcavity; low threshold optical bistability is achieved. The results show that the device under an EP has a relatively lower threshold (input optical power threshold of 2.2 MW/cm2), shorter switching time (1.725 ps), and significantly improved switching contrast (17.16 dB) compared with those without EP. Our research lays the groundwork for optical switches that are chip-integrated, have low power consumption, and exhibit short switching times.