Finite-difference Time-domain Simulations Research Articles

A triple plasmon-induced transparency terahertz sensor based on graphene metamaterials

A metamaterial-based terahertz sensor design is presented in this paper. The metamaterial unit structure comprises a graphene cross and three sets of graphene strips, which collectively achieve a triple plasmon-induced transparency (PIT) in both polarization directions. The theoretical results based on the Lorentz resonance theoretical model are in good agreement with finite difference time domain (FDTD) simulations. The sensor is polarization-independent and changes in the angle of incidence between 0° and 10° have a negligible impact on the sensing performance. Furthermore, the sensor exhibits a notable slow-light effect, with a maximum sensitivity of 1.65 THz/RIU and a FOM value of 4.74/RIU for the triple PIT, which is superior to that of comparable devices.

Three-Dimensional Reconstruction of Retaining Structure Defects from Crosshole Ground Penetrating Radar Data Using a Generative Adversarial Network

Crosshole ground penetrating radar (GPR) is an efficient method for ensuring the quality of retaining structures without the need for excavation. However, interpreting crosshole GPR data is time-consuming and prone to inaccuracies. To address this challenge, we proposed a novel three-dimensional (3D) reconstruction method based on a generative adversarial network (GAN) to recover 3D permittivity distributions from crosshole GPR images. The established framework, named CGPR2VOX, integrates a fully connected layer, a residual network, and a specialized 3D decoder in the generator to effectively translate crosshole GPR data into 3D permittivity voxels. The discriminator was designed to enhance the generator’s performance by ensuring the physical plausibility and accuracy of the reconstructed models. This adversarial training mechanism enables the network to learn non-linear relationships between crosshole GPR data and subsurface permittivity distributions. CGPR2VOX was trained using a dataset generated through finite-difference time-domain (FDTD) simulations, achieving precision, recall and F1-score of 91.43%, 96.97% and 94.12%, respectively. Model experiments validate that the relative errors of the estimated positions of the defects were 1.67%, 1.65%, and 1.30% in the X-, Y-, and Z-direction, respectively. Meanwhile, the method exhibits noteworthy generalization capabilities under complex conditions, including condition variations, heterogeneous materials and electromagnetic noise, highlighting its reliability and effectiveness for practical quality assurance of retaining structures.

Inverse design of polaritonic devices

Polaritons, arising from the strong coupling between excitons and photons within microcavities, hold promise for optoelectronic and all-optical devices. They have found applications in various domains, including low-threshold lasers and quantum information processing. To realize complex functionalities, non-intuitive designs for polaritonic devices are required. In this contribution, we use finite-difference time-domain simulations of the dissipative Gross–Pitaevskii equation, written in a differentiable manner, and combine it with an adjoint formulation. Such a method allows us to use topology optimization to engineer the potential landscape experienced by polariton condensates to tailor its characteristics on demand. The potential directly translates to a blueprint for a functional device, and various fabrication and optical control techniques can experimentally realize it. We inverse-design a selection of polaritonic devices, i.e., a structure that spatially shapes the polaritons into a flat-top distribution, a metalens that focuses a polariton, and a nonlinearly activated isolator. The functionalities are preserved when employing realistic fabrication constraints such as minimum feature size and discretization of the potential. Our results demonstrate the utility of inverse design techniques for polaritonic devices, providing a stepping stone toward future research in optimizing systems with complex light–matter interactions.

Xenon plasma-focused ion beam milling for fabrication of high-purity, bright single-photon sources operating in the C-band

Electron beam lithography is a standard method for fabricating photonic micro and nanostructures around semiconductor quantum dots (QDs), which are crucial for efficient single and indistinguishable photon sources in quantum information processing. However, this technique is difficult for direct 3D control of the structure shape, complicating the design and enlarging the 2D footprint to suppress in-plane photon leakage while directing photons into the collecting lens aperture. Here, we present an alternative approach to employ xenon plasma-focused ion beam (Xe-PFIB) technology as a reliable method for the 3D shaping of photonic structures containing low-density self-assembled InAs/InP quantum dots emitting in the C-band range of the 3rd telecommunication window. The method is optimized to minimize the possible ion-beam-induced material degradation, which allows exploration of both non-deterministic and deterministic fabrication approaches, resulting in photonic structures naturally shaped as truncated cones. As a demonstration, we fabricate mesas using a heterogeneously integrated structure with a QD membrane atop an aluminum mirror and silicon substrate. Finite-difference time-domain simulations show that the angled sidewalls significantly increase the emission collection efficiency to approx. 0.9 for NA = 0.65. We demonstrate experimentally a high purity of pulsed single-photon emission (∼99%) and a superior extraction efficiency value reported in the C-band of η = 24 ± 4%.

Free Electron Density Gradients Enhanced Biosensor for Ultrasensitive and Accurate Affinity Assessment of the Immunotherapy Drugs.

Accurate affinity assessments play an important role in drug discovery, screening, and efficacy evaluation. Label-free affinity biosensors are recognized as a dependable and standard technology for addressing this challenge. This study constructs a free electron density gradient-enhanced meta-surface plasmon resonance (FED-MSPR) biosensor through a finite-difference time-domain simulation model, the biosensor demonstrates superior detection performance in accurately determining affinity and kinetic rate constants. By controlling the dielectric properties of the metal on the surface of the nanocup arrays, the plasmon resonance effects are easily tuned without changing the nanostructure design. Compared with the single-layer gold chip, the triple-layer FED-MSPR chip demonstrated a four-fold improvement in resolution at the optimal resonance peak. Additionally, the sensitivity and figure of merit (FOM) of the multi-layer chip increased by 3.5 and 7.99 times, respectively. Following modification with high- and low-staggered carboxylation, the noise-signal ratio and baseline stability of the real-time kinetic curves based on these chips are significantly enhanced. The developed carboxylation FED-MSPR platform is successfully used to perform affinity assays for Adalimumab and TNF-α protein, resulting in favorable dynamic curves. These findings validate the proposed FED-MSPR biosensor platform as cost-effective, rapid, sensitive, and label-free, facilitating real-time quality control in drug development.

High-Resolution Distance Dependence Interrogation of Scanning Ion Conductance Microscopic Tip-Enhanced Raman Spectroscopy Enabled by Two-Dimensional Molybdenum Disulfide Substrates.

Scanning ion conductance microscopy (SICM) is a powerful surface imaging tool used in the electrolytic environment. Tip-enhanced Raman spectroscopy (TERS) can give more information in addition to the morphology provided by the SICM by utilizing label-free Raman spectroscopy aided by the localized plasmonic enhancement from the metal-coated probes. In this study, the integration of SICM with TERS is demonstrated through employing a silver-coated plasmonic nanopipette. Leveraging a two-dimensional (2D) molybdenum disulfide (MoS2) as a model system, the SICM-TERS enhancement factor was estimated to be ∼105, supported by finite-difference time-domain (FDTD) simulation. Moreover, the subnanometer distance dependence SICM-TERS study reveals the tensile stress and structural changes caused by the nanopipette. These findings illustrate the potential of SICM-TERS for providing comprehensive morphological and chemical insights into electrolytic environments, paving the way for future investigations of electrocatalytic and biological systems.

Microstructured Reflective Coatings on Commodity Textiles for Passive Personal Cooling.

As the effects of climate change become more severe and widespread, maintaining personal thermal homeostasis becomes necessary for survival. In principle, advanced textiles and garments have the ability to leverage light absorption, transmission and/or reflection, in addition to straightforward convection, to heat or cool bodies in extreme temperature conditions. For cooling, in particular, surfaces adept at selectively reflecting or refracting high-energy incident light (200 nm-2.5 mm) from the sun while transmitting or emitting infrared light (8-13 mm) from radiant body heat boast the ability to maintain cooler body temperatures, even when exposed to direct sunlight and the open sky. Here, we present a strategy to transform common clothing into implements for passive personal cooling. As confirmed by Mie scattering calculations, cheap and biocompatible calcium carbonate and barium sulfate micro/nanoparticles are found to serve as suitable reflectors for radiative cooling. Finite-difference time domain simulations reveal, surprisingly, that higher reflectance is achieved with surface coatings containing these materials, as compared to extruded metamaterial fibers containing CaCO3 and BaSO4 particles embedded within a polymer matrix. A stepwise process involving photoinitiated chemical vapor deposition and ion-exchange driven crystal growth is used to create a lamellar composite coating comprised of alternating CaCO3 and BaSO4 nano/microparticle layers directly on the surface of common fabrics. A polyester poplin fabric coated in this manner shows a cooling ability of up to 8 °C compared to an uncoated sample, achieving a maximum cooling of 6 °C below ambient temperature. Wash and durability testing of the lamellar coating reveal no mechanical degradation and no evident attenuation in the material's performance, affirming its resilience and long-term effectiveness as a functional textile coating for personal cooling. We also assess the performance of our coated fabrics in multiple outdoor environments to conclude that we can achieve up to 3.4 °C of sub-ambient cooling in optically complex built environments.

Polarization-desensitization dynamically adjustable quintuple plasmon-induced transparency multi-frequency modulator based on graphene metamaterial

The monolayer metamaterial that consists of graphene arrangement squares and four L-shaped graphene blocks is designed to achieve quintuple plasmon-induced transparency (quintuple-PIT). First, the accuracy of the results has been validated through finite difference time domain simulations and coupled mode theory, which show good agreement. Second, a quadruple-frequency asynchronous switch with amplitude modulation degree (AMD) values of 94.7%, 91.1%, 96.6%, and 77.4% and a sextuple-frequency synchronous switch with AMD values of 95.0%, 96.8%, 88.0%, 93.3%, 58.6%, and 71.5% have been proposed by dynamic control, respectively. It is worth noting that the number of PIT windows in the transmission curve can be freely adjusted from a quintuple-PIT to single-PIT mode by manipulating the Fermi level states of different parts of the structure. Finally, further investigations have demonstrated that the proposed structure exhibits excellent slow-light properties and is insensitive to polarized light, which indicates that the metamaterial structure possesses good stability and anti-interference capabilities under various polarization conditions. The metamaterial and results provide valuable insights and ideas for the design of optoelectronic devices.

Reconfigurable Antireflection Coatings Enabled by PDMS Oligomer Infusion in Templated Nanoporous Polymer Films.

The diffusion of uncured polydimethylsiloxane (PDMS) oligomers out of bulk PDMS elastomers is usually detrimental to many biomedical and microfluidic applications due to the inevitable contamination of the contacting fluids and substrates. Here, we transform this detrimental process into an enabling technology for achieving novel reconfigurable antireflection (AR) coatings, which are of great technological importance in the development of new nano-optical and optoelectronic applications. Self-assembled monolayer silica colloidal crystals are first used as sacrificial templates in fabricating nanoporous polymer AR coatings. When air in the templated nanopores is replaced with infused PDMS oligomers simply by pressing a PDMS stamp on a nanoporous AR film, the original antireflection conditions are lost, and the coating transforms from a low-reflection configuration to a high-reflection state. The original antireflection performance can be fully recovered by dissolving the infused oligomers in the appropriate solvents (e.g., hexane). This novel tuning mechanism for achieving reconfigurable AR properties has been confirmed by systematic investigations using various microscopes, optical spectroscopy, nanoindentation, thermomechanical tests, and X-ray photoelectron spectroscopy. Complex micropatterns with micrometer-scale spatial resolution and drastically different AR performances can be easily printed on nanoporous AR films by using a soft lithography-based microcontact printing process. Numerical finite-difference time-domain simulations match well with experimental antireflection measurements and reveal a linear relationship between the optical transmission and the amount of infused PDMS oligomers in nanopores.

Three-dimensional NTF–Ag composites for ultrasensitive SERS-based detection of malachite green on crucian carp skin

Three-dimensional (3D) Na2Ti3O7 flower (NTF) systems were synthesized, followed by sputter coating with silver (Ag) nanoparticles to increase surface-enhanced Raman scattering (SERS) activity. By varying the sputtering time, SERS activity of the Ag-decorated NTF (NTF-Ag) structures was optimized. Furthermore, the theoretical evidence from finite difference time domain (FDTD) simulations confirmed that an appropriate density of Ag particles increased the electromagnetic field contribution. The electromagnetic field contribution is high because the special petal-shaped structure can promote multiple reflections and scattering, thus providing efficient resonance absorption for charge-transfer (CT) and exciton enhancements. Highly SERS-active NTF-Ag composites were developed and exploited for the detection of malachite green (MG), a model contaminant in the food industry. The detection limit of this method for MG reached 3.78 × 10−10 M, with a standard deviation of homogeneity of 6.83 %. This method was successfully applied to detect MG on crucian carp skin, and it showed high recovery, indicating that it can serve as a practical method for MG evaluation. All results demonstrated that the prepared NTF-Ag composite has great potential in the application of SERS-based contamination assessment in the food industry.

Near-Infrared Polarization-Sensitive Detection by All-Si Plasmonic Hot Electron Detectors.

Polarization-sensitive optoelectronic detection has been achieved by an all-Si detector in the NIR range, based on plasmon hot electron generation/internal photoemission effect. An advanced architecture with a specially designed anisotropic metasurface was developed and structurally optimized for maximizing the internal quantum efficiency (IQE). Assisted by finite difference time domain (FDTD) simulations, the well-designed device exhibits a maximum optical absorption of 80% around 1.45 μm, corresponding to an optical discrimination ratio of 120. Optoelectronic measurements show the peak responsivity and detectivity of 51.2 mA/W and 8.05 × 1010 cm Hz1/2/W, respectively, at 1.45 μm. A high polarization photocurrent ratio of 35 nm is also achieved at 1.55 μm. Moreover, the optoelectronic response can be tuned by a back-gate bias. Last but not least, we built up a model for theoretically estimating the IQE, which provides instructive guidance for further enhancing the optoelectronic performance of hot electron detectors.

Nucleus-Spike 3D Hierarchical Superstructures via a Lecithin-Mediated Biomineralization Approach.

3D hierarchical superstructures (3DHSs) are key products of nature's evolution and have raised wide interest. However, the preparation of 3DHSs composed of building blocks with different structures is rarely reported, and regulating their structural parameters is challenging. Herein, a simple lecithin-mediated biomineralization approach is reported for the first time to prepare gold 3DHSs composed of 0D nucleus and 1D protruding dendritic spikes. It is demonstrated that a hydrophobic complex by coordination of disulfiram (DSF) with a share of chloroauric acid is the key to forming the 3DHSs. Under the lecithin mediation, chloroauric acid is first reduced to form the 0D nucleus, followed by the spike growth through the reduction of the hydrophobic complex. The prepared 3DHSs possess well-defined morphology with a spike length of ≈95nm. Notably, the hierarchical spike density is systematically manipulated from 38.9% to 74.3% by controlling DSF concentrations. Moreover, the spike diameter is regulated from 9.2 to 12.9nm by selecting different lecithin concentrations to tune the biomineralization process. Finite-difference time-domain (FDTD) simulations reveal that the spikes form "hot spots". The dense spike structure endows the 3DHSs with sound performance in surface-enhanced Raman scattering (SERS) applications.

High-performance SERS substrate based on gold nanoparticles-decorated micro/nano-hybrid hierarchical structure

Owing to its excellent localized surface plasmon resonance (LSPR) effect, noble metal nanoparticles (NPs) find extensive application in the preparation of surface-enhanced Raman scattering (SERS) substrates. However, due to process limitations, the practicality and testing effectiveness of SERS substrates still leaves much to be desired. Here, a wafer-scale gold (Au) NPs silicon (Si) micro/nano-hybrid structured substrate is prepared. This is achieved through two-step etching, followed by decorating Au-NPs onto the structure via self-assembly process induced by de-wetting. Finite-difference time-domain (FDTD) simulations reveal that the significant enhancement of local electric field in the voids between Au-NPs and Si is crucial for enhancing SERS. Using Rhodamine 6G (R6G) as the probe molecule, performance of the fabricated SERS substrate is investigated. It demonstrates a minimum detection limit of 10−11 M, with a calculated enhancement factor of 4.40 × 108, indicating its high sensitivity. The minimum relative standard deviation for the substrate is 5.254 %. After 20 days of placement, the SERS performance show tiny variation. Even after four cycles of cleaning experiments, it still maintains outstanding SERS performance. This demonstrates its excellent stability, uniformity and reusability. Our research provides guidance for the efficient and low-cost fabrication of high-performance SERS substrates.

Compensation of staircase-induced boundary absorption errors in FDTD simulation

Finite-difference time-domain (FDTD) methods are popular for wave-based simulations because their regular grid enables highly efficient implementation, especially on parallel processing architectures. On the flip side, these methods exhibit errors caused by the staircase approximations that result when arbitrary boundary geometries are approximated on the fixed grid. Of particular concern in room acoustics is the staircasing of absorptive boundaries, as this has been shown to cause errors as large as 40% in computed reverberation times that do not reduce when the grid is refined. This paper analyses the effectiveness of a previously proposed compensation method that consists of modifying the admittance boundary conditions based on the staircased surface area. A theoretical analysis shows that for special boundary orientations the numerical reflection coefficient converges to the exact result at low frequencies. Numerical tests complement this analysis to show that the compensation yields accurate results at intermediate orientations as well. A spherical resonator case further demonstrates that a close match between numerically and analytically computed relaxation times is also obtained for curved boundaries.

Plasmonic Nanogap-Enhanced Tunable Three-Dimensional Nanoframes in Application to Clinical Diagnosis of Alzheimer's Disease.

Advancements in nanotechnology led to significant improvements in synthesizing plasmon-enhanced nanoarchitectures for biosensor applications, and high-yield productivity at low cost is vital to step further into medical commerce. Metal nanoframes via wet chemistry are gaining attention for their homogeneous structure and outstanding catalytic and optical properties. However, nanoframe morphology should be considered delicately when brought to biosensors to utilize its superior characteristics thoroughly, and the need to prove its clinical applicability still remains. Herein, we controlled the frameworks of double-walled nanoframes (DWFs) precisely via wet chemistry to construct a homogeneous plasmon-enhanced nanotransducer for localized surface plasmon resonance biosensors. By tuning the physical properties considering the finite-difference time-domain simulation results, biomolecular interactions were feasible in the electromagnetic field-enhanced nanospace. As a result, DWF10 exhibited a 10-fold lower detection limit of 2.21 fM compared to DWF14 for tau detection. Further application into blood-based clinical and Alzheimer's disease (AD) diagnostics, notable improvement in classifying mild cognitive impairment patients against healthy controls and AD patients, was demonstrated along with impressive AUC values. Thus, in response to diverse detection methods, optimizing nanoframe dimensions such as nanogap and frame thickness to maximize sensor performance is critical to realize future POCT diagnosis.

Germanium metalens for longwave infrared applications

Metalenses represent a paradigm shift in optics, offering unprecedented control over light manipulation. This study focuses on the design optimization of a polarization-insensitive germanium (Ge) metalens operating in the longwave infrared (LWIR) regime. Employing rigorous coupled-wave analysis (RCWA) and finite-difference time-domain (FDTD) simulations, a metalens with 1mm focal length was designed using nanopillars with 3.5µm height and radius ranging from 0.55µm to 1.2µm. Then, the impact of lattice size and numerical aperture (NA) on lens performance was investigated. The results indicate that smaller lattices allow finer phase control and enhanced transmittance stability across the phase profile if significant coupling effects are not verified. As the NA increases, the focal spot size decreases, albeit with diminishing returns towards the diffraction limit. To the best of our knowledge, it is the first work that shows high focal efficiency (~80%) across multiple NA’s for a LWIR metalens with a diameter under 1100µm. The proposed metalens is compatible with complementary metal-oxide-semiconductor (CMOS) technology and supports low-cost manufacturing.

Characterization of a four-channel surface plasmon polaritons emitter based on a combined grooves coupling structure using photoemission electron microscopy

In various functional devices relying on femtosecond surface plasmon polaritons (SPPs), actively controlling the propagation direction of the SPPs field is crucial for designing plasmon-based functional devices. This capability is particularly valuable in optical logic circuits and optical communication systems. In this study, we employed photoemission electron microscopy (PEEM) to conduct near-field imaging of the SPPs field generated by a novel combination of wide and narrow grooves etched on a flat silver film. Experimental results revealed that femtosecond SPPs fields excited by laser pulses with different linear polarizations (±45°) can be emitted in four distinct directions, showcasing the combined groove structure's potential as a four-channel SPPs emitter. Additionally, Finite-Difference Time-Domain (FDTD) simulations were utilized to model the time evolution envelope of SPPs modes excited by groove coupling structures irradiated with laser pulses of varying polarization directions. The physical mechanism behind the combined groove structures as a four-channel SPPs emitter was thoroughly analyzed, and the experimental findings closely aligned with the FDTD simulation results. This research is of significant importance for advancing novel ultra-fast micro-nano optoelectronic devices with exceptional properties and for constructing ultra-fast information processing systems in plasmonics nanocircuits.

Data-driven investigation of thickness variations in multilayer thin film coatings

Abstract Design and fabrication of multilayer thin film coatings for photonics applications require careful consideration of various parameters such as layer thickness, refractive indices and number of stacks. A growing trend uses machine learning for efficient navigation in the complex parameter space of photonics applications to efficiently extract valuable insights from the extensive datasets and to predict the optical performance. We developed an approach that combines Monte-Carlo and Finite-Difference Time-Domain simulations to model multilayer thin films. After conducting 95 200 runs, the data were analyzed using Neural Network fitting to explore how thickness variations influence the optical performance. An experiment validation on magnetron sputtered coated samples demonstrates the high accuracy of our method in predicting the optical performance of the thin film stacks (R 2 > 0.99), contributing to the understanding and enhancement of photonics stack properties for diverse optical applications using machine learning approaches.

Exploring the thermal and optical characteristics of Ti3C2 MXene for enhanced photothermal conversion

Ti3C2 MXene, a member of the two-dimensional (2D) transition metal carbides family, has garnered significant attention for its exceptional photothermal properties. To understand the mechanistic underpinnings of this feature, we conducted a comprehensive first-principles density functional theory analysis. This study was aimed at investigating the electronic band structure and vibrational characteristics of Ti3C2 MXene to unravel its microscopic process of photothermal conversion. After obtaining its optical and thermal properties, the process by which the material moves from light absorption to heat release is elucidated. The presence of localized surface plasmon resonance (LSPR) effects in Ti3C2 is proved by Finite-difference time-domain (FDTD) simulations. The synergy between the high thermal conductivity network in the Ti layers and the LSPR phenomenon is believed to be responsible for the superior photothermal conversion capabilities. This investigation enhances the understanding of the intrinsic properties of Ti3C2 MXene, confirming its status as an ultrahigh photothermal conversion material.

GaAs-based red micro-light-emitting diodes with an oxide perimeter region for improved external quantum efficiency

Red micro-light-emitting diodes (μ-LEDs) with AlGaInP/GaInP multiple quantum wells are fabricated with an oxide perimeter region to control the current injection path. When the values of the external quantum efficiency (EQE) of the 30 μm-size μ-LED with the oxide perimeter region are compared with those of the device without the oxide perimeter region, an improvement as high as 40% is observed at current densities <80 A/cm2. From the finite-difference time-domain simulation of the light-extraction efficiency (LEE), which shows that the LEE of the device with the oxide perimeter region is ∼12% smaller than that of the device without the oxide perimeter region, it can be seen that the increased EQE is attributed to the improvement of the internal quantum efficiency (IQE). Since the oxide perimeter region limits the current paths to the sidewalls of the μ-LED chips, the nonradiative recombination via sidewall defects is considered suppressed, resulting in the improvement of the IQE. The oxidation of the AlGaAs layer utilized in this work is easy to implement and accurately controllable, suitable for mass-production of high-efficiency red μ-LEDs for display applications.