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Martin Hammerschmidt

Publications and source records attributed to Martin Hammerschmidt.

At least 19 recordsLinked to original sources

Pole-Expansion of the T-Matrix Based on a Matrix-Valued AAA-Algorithm

The transition matrix (T-matrix) is a complete description of an object's linear scattering response. As such, it has found wide adoption for the theoretical and computational description of multiple-scattering phenomena. In its original form, the T-matrix describes the interaction of a scatterer with a monochromatic source. In practice, however, information about the T-matrix is usually needed in an extended spectral domain. To access the frequency-dispersion, one might naively sample T-matrices over a finely resolved set of discrete frequencies and store one T-matrix per frequency. This approach has multiple drawbacks: it is computationally expensive, requires excessive memory, and it disregards the physical origin of the spectral features, weakening physical interpretability. To overcome these major limitations, we leverage a pole-expansion technique to represent the T-matrix with arbitrary frequency resolution within a selected frequency domain via a set of resonant contributions. A matrix-valued variant of the recently established adaptive Antoulas-Anderson (AAA) algorithm for rational approximation enables us to compute the pole-expansion at minimal computational cost using only a small number of direct evaluations. We demonstrate the benefits of such a representation with examples ranging from semi-analytically accessible scatterers to quasi-dual bound states in the continuum. To allow the wider community to capitalize on these findings, we provide open-source tools to perform the presented pole-expansion of the T-matrix.

physics.optics

High Purcell enhancement in all-TMDC nanobeam resonator designs with active monolayers for nanolasers

We propose a nanobeam resonator incorporating an active monolayer, designed to achieve a high Purcell enhancement. The resonator is fully composed of transition-metal-dichalcogenide materials and intended to operate as a high-beta-factor nanolaser. A theoretical framework that models and optimizes the Purcell enhancement associated with the emission from atomically thin layers is developed. This framework is based on a resonance expansion, enabling spectral resolution of physical quantities governed by high-Q resonances. The numerical optimization of the resonator leads to the presence of a high-Q resonance supporting a strong electric field confinement in the monolayer to maximize the modal gain.

physics.optics

Resonance modes in microstructured photonic waveguides: Efficient and accurate computation based on AAA rational approximation

We present a framework for the efficient and accurate computation of resonance modes in photonic waveguides. The framework is based on AAA rational approximation with the application of special light sources. It allows one to calculate only relevant modes, such as the fundamental resonance modes localized in the central core of the waveguides. We demonstrate the framework using an example from the literature, a hollow-core photonic crystal fiber. This waveguide supports many other modes, such as cladding modes and higher-order modes. These nonrelevant modes are not calculated, so that challenging post-processing with mode filtering is not required.

physics.comp-ph

Modeling luminescent coupling in multi-junction solar cells: Perovskite Silicon tandem case study

Luminescent coupling is a characteristic of multi-junction solar cells which has often been neglected in models of their performance. The effect describes the absorption of light emitted from a higher band gap semiconductor by a lower band gap semiconductor. In this way, light which might have been lost can be utilized for current generation. We present a framework for modeling this effect in both planar layer stacks and devices with periodic nanostructuring. As a case study, we evaluate how luminescent coupling is affected by the inclusion of nanostructuring in a perovskite silicon tandem solar cell. We find that nanostructuring, while reducing the reflection loss for tandem solar cells also reduces the luminescent coupling, allowing more light to be emitted to the surroundings, when compared to planar devices. This highlights the need to include modeling of this effect into optimization schemes in order to find the trade-off between these two effects. The published version of this work is available at https://doi.org/10.1117/12.3023941.

physics.optics

Efficient rational approximation of optical response functions with the AAA algorithm

We introduce a theoretical framework for the rational approximation of optical response functions in resonant photonic systems. The framework is based on the AAA algorithm and further allows to solve the underlying nonlinear eigenproblems and to efficiently model sensitivities. An adaptive sampling strategy exploits the predominance of resonances in the physical response. We investigate a chiral metasurface and show that the chiroptical response on parameter variations can be accurately modeled in the vicinity of the relevant resonance frequencies.

physics.optics

Forward simulation of coherent beams on grating structures for coherent scatterometry

Modelling the scattering of focused, coherent light by nano-scale structures is oftentimes used to reconstruct or infer geometrical or material properties of structures under investigation in optical scatterometry. This comprises both periodic and aperiodic nano-structures. Coherent Fourier scatterometry with focused light exploits the diffraction pattern formed by the nano-structures in Fourier plane. While the scattering of a focused beam by a spatially isolated scatterer is a standard modelling task for state-of-the art electromagnetic solvers based, e.g., on the finite element method, the case of periodically structured samples is more involved. In particular when the focused light covers several grating periods of as it is commonly the case. We will present a coherent illumination model for scattering of focused beams such as Gaussian -- and Bessel -- beams by periodic structures such as line gratings. The model allows to take into account optical wavefront aberrations in optical systems used for both, the illumination and detection of the scattered fields. We compare the model with strategies implemented on large-scale super-cells and inverse Floquet-transform strategies to superimpose both near- and far- fields coherently.

physics.optics

Applying a Riesz-projection-based contour integral eigenvalue solver to compute resonance modes of a VCSEL

We investigate the calculation of resonance modes of a VCSEL with a Riesz projection eigenvalue solver. The eigenvalue solver is based on the principle of contour integration where for the solution of scattering problems physical right sides are used. Here, it is investigated how numerical parameters impact the performance of the method, where we focus on the computation of the fundamental VCSEL mode.

physics.comp-ph

Impact Study of Numerical Discretization Accuracy on Parameter Reconstructions and Model Parameter Distributions

In optical nano metrology numerical models are used widely for parameter reconstructions. Using the Bayesian target vector optimization method we fit a finite element numerical model to a Grazing Incidence X-Ray fluorescence data set in order to obtain the geometrical parameters of a nano structured line grating. Gaussian process, stochastic machine learning surrogate models, were trained during the reconstruction and afterwards sampled with a Markov chain Monte Carlo sampler to determine the distribution of the reconstructed model parameters. The numerical discretization parameters of the used finite element model impact the numerical discretization error of the forward model. We investigated the impact of the polynomial order of the finite element ansatz functions on the reconstructed parameters as well as on the model parameter distributions. We showed that such a convergence study allows to determine numerical parameters which allows for efficient and accurate reconstruction results.

physics.comp-ph

Resonance expansion of quadratic quantities with regularized quasinormal modes

Resonance expansions are an intuitive approach to capture the interaction of an optical resonator with light. Here, we present a quasinormal mode expansion approach for quadratic observables exploiting the rigorous Riesz projection method. We demonstrate the approach by a numerical implementation of a state-of-the-art quantum light source and emphasize the ability of the approach to provide modal expansions outside the underlying nanophotonic resonator.

physics.optics

Computation of eigenfrequency sensitivities using Riesz projections for efficient optimization of nanophotonic resonators

Resonances are omnipresent in physics and essential for the description of wave phenomena. We present an approach for computing eigenfrequency sensitivities of resonances. The theory is based on Riesz projections and the approach can be applied to compute partial derivatives of the complex eigenfrequencies of any resonance problem. Here, the method is derived for Maxwell's equations. Its numerical realization essentially relies on direct differentiation of scattering problems. We use a numerical implementation to demonstrate the performance of the approach compared to differentiation using finite differences. The method is applied for the efficient optimization of the quality factor of a nanophotonic resonator.

physics.comp-ph

Optimized diamond inverted nanocones for enhanced color center to fiber coupling

Nanostructures can be used for boosting the light outcoupling of color centers in diamond; however, the fiber coupling performance of these nanostructures is rarely investigated. Here, we use a finite element method for computing the emission from color centers in inverted nanocones and the overlap of this emission with the propagation mode in a single-mode fiber. Using different figures of merit, the inverted nanocone parameters are optimized to obtain maximal fiber coupling efficiency, free-space collection efficiency, or rate enhancement. The optimized inverted nanocone designs show promising results with 66% fiber coupling or 83% free-space coupling efficiency at the tin-vacancy center zero-phonon line wavelength of 619 nm. Moreover, when evaluated for broadband performance, the optimized designs show 55% and 76% for fiber coupling and free-space efficiencies respectively, for collecting the full tin-vacancy emission spectrum at room temperature. An analysis of fabrication insensitivity indicates that these nanostructures are robust against imperfections. For maximum emission rate into a fiber mode, a design with a Purcell factor of 2.34 is identified. Finally, possible improvements offered by a hybrid inverted nanocone, formed by patterning into two different materials, are investigated, and increases the achievable fiber coupling efficiency to 71%.

quant-ph

Grazing incidence X-ray fluorescence based characterization of nanostructures for element sensitive profile reconstruction

For the reliable fabrication of the current and next generation of nanostructures it is essential to be able to determine their material composition and dimensional parameters. Using the grazing incidence X-ray fluoresence technique, which is taking advantage of the X-ray standing wave field effect, nanostructures can be investigated with a high sensitivity with respect to the structural and elemental composition. This is demonstrated using lamellar gratings made of Si$_3$N$_4$. Rigorous field simulations obtained from a Maxwell solver based on the finite element method allow to determine the spatial distribution of elemental species and the geometrical shape with sub-nm resolution. The increasing complexity of nanostructures and demanded sensitivity for small changes quickly turn the curse of dimensionality for numerical simulation into a problem which can no longer be solved rationally even with massive parallelisation. New optimization schemes, e.g. machine learning, are required to satisfy the metrological requirements. We present reconstruction results obtained with a Bayesian optimization approach to reduce the computational effort.

physics.app-ph

Double-Layer Metasurface for Enhanced Photon Up-Conversion

We present a double-layer dielectric metasurface obtained by stacking a silicon nanodisc array and a silicon photonic crystal slab with equal periodicity on top of each other. We focus on the investigation of electric near-field enhancement effects occurring at resonant excitation of the metasurface and study its optical properties numerically and experimentally. We find that the major difference in multi-layer metasurfaces when compared to conventional single-layer structures appears to be in Rayleigh-Wood anomalies: they are split into multiple different modes which are themselves spectrally broadened. As a proof of concept we cover a double-layer metasurface with a lanthanide-doped up-conversion particle layer and study its interaction with a 1550 nm photoexcitation. We observe a 2.7-fold enhancemed up-conversion photoluminescence by using the stacked metasurface instead of a planar substrate, although only around 1% of the up-conversion material is exposed to enhanced near-fields. Two mechanisms are identified explaining this behavior: First, enhanced near-fields when exciting the metasurface resonantly, and second, light trapping by total internal reflection in the particle layer when the metasurface redirects light into high-angle diffraction orders. These results pave the way for low-threshold and, in particular, broadband photon up-conversion in future solar energy and biosensing applications.

physics.optics

Efficient Bayesian inversion for shape reconstruction of lithography masks

Background: Scatterometry is a fast, indirect and non-destructive optical method for quality control in the production of lithography masks. To solve the inverse problem in compliance with the upcoming need for improved accuracy, a computationally expensive forward model has to be defined which maps geometry parameters to diffracted light intensities. Aim: To quantify the uncertainties in the reconstruction of the geometry parameters, a fast to evaluate surrogate for the forward model has to be introduced. Approach: We use a non-intrusive polynomial chaos based approximation of the forward model which increases speed and thus enables the exploration of the posterior through direct Bayesian inference. Additionally, this surrogate allows for a global sensitivity analysis at no additional computational overhead. Results: This approach yields information about the complete distribution of the geometry parameters of a silicon line grating, which in return allows to quantify the reconstruction uncertainties in the form of means, variances and higher order moments of the parameters. Conclusion: The use of a polynomial chaos surrogate allows to quantify both parameter influences and reconstruction uncertainties. This approach is easy to use since no adaptation of the expensive forward model is required.

physics.data-an

Quasinormal mode expansion of optical far-field quantities

Quasinormal mode (QNM) expansion is a popular tool to analyze light-matter interaction in nanoresonators. However, expanding far-field quantities such as the energy flux is an open problem because QNMs diverge with an increasing distance to the resonant systems. We introduce a theory to compute modal expansions of far-field quantities rigorously. The presented approach is based on the complex eigenfrequencies of QNMs. The divergence problem is circumvented by using contour integration with an analytical continuation of the far-field quantity into the complex frequency plane. We demonstrate the approach by computing the angular resolved modal energy flux in the far field of a nanophotonic device.

physics.optics

An efficient approach to global sensitivity analysis and parameter estimation for line gratings

Scatterometry is a fast, indirect and nondestructive optical method for the quality control in the production of lithography masks. Geometry parameters of line gratings are obtained from diffracted light intensities by solving an inverse problem. To comply with the upcoming need for improved accuracy and precision and thus for the reduction of uncertainties, typically computationally expansive forward models have been used. In this paper we use Bayesian inversion to estimate parameters from scatterometry measurements of a silicon line grating and determine the associated uncertainties. Since the direct application of Bayesian inference using Markov-Chain Monte Carlo methods to physics-based partial differential equation (PDE) model is not feasible due to high computational costs, we use an approximation of the PDE forward model based on a polynomial chaos expansion. The expansion provides not only a surrogate for the PDE forward model, but also Sobol indices for a global sensitivity analysis. Finally, we compare our results for the global sensitivity analysis with the uncertainties of estimated parameters.

physics.data-an

Extracting Dimensional Parameters of Gratings Produced with Self-Aligned Multiple Patterning Using GISAXS

Background: To ensure consistent and high-quality semiconductor production at future logic nodes, additional metrology tools are needed. For this purpose, grazing-incidence small-angle X-ray scattering (GISAXS) is being considered because measurements are fast with a proven capability to reconstruct average grating line profiles with high accuracy. Aim: GISAXS measurements of grating line shapes should be extended to samples with pitches smaller than 50 nm and their defects. The method's performance should be evaluated. Approach: A series of gratings with 32 nm pitch and deliberately introduced pitchwalk is measured using GISAXS. The grating line profiles with associated uncertainties are reconstructed using a Maxwell solver and Markov-Chain Monte Carlo (MCMC) sampling combined with a simulation library approach. Results: The line shape and the pitchwalk are generally in agreement with previously published transmission small-angle X-ray scattering (SAXS) results; however the line height and line width show deviations of (1.0 +/- 0.2) nm and (2.0 +/- 0.7) nm, respectively. The complex data evaluation leads to relatively high pitchwalk uncertainties between 0.5 nm and 2 nm. Conclusions: GISAXS shows great potential as a metrology tool for small-pitch line gratings with complex line profiles. Faster simulation methods would enable more accurate results.

physics.app-ph

Nanopatterned Sapphire Substrates in Deep-UV LEDs: Is there an Optical Benefit?

Light emitting diodes (LEDs) in the deep ultra-violet (DUV) offer new perspectives for multiple applications ranging from 3D printing to sterilization. However, insufficient light extraction severely limits their efficiency. Nanostructured sapphire substrates in aluminum nitride based LED devices have recently shown to improve crystal growth properties, while their impact on light extraction has not been fully verified. We present a model for understanding the impact of nanostructures on the light extraction capability of DUV-LEDs. The model assumes an isotropic light source in the semiconductor layer stack and combines rigorously computed scattering matrices with a multilayer solver. We find that the optical benefit of using a nanopatterned as opposed to a planar sapphire substrate to be negligible, if parasitic absorption in the p-side of the LED is dominant. If losses in the p-side are reduced to 20%, then for a wavelength of 265 nm an increase of light extraction efficiency from 7.8% to 25.0% is possible due to nanostructuring. We introduce a concept using a diffuse ('Lambertian') reflector as p-contact, further increasing the light extraction efficiency to 34.2%. The results underline that transparent p-sides and reflective p-contacts in DUV-LEDs are indispensable for enhanced light extraction regardless of the interface texture between semiconductor and sapphire substrate. The optical design guidelines presented in this study will accelerate the development of high-efficiency DUV-LEDs, but the model is also readily applicable to other multilayer opto-electronic nanostructured devices such as photovoltaics or photodetectors.

physics.optics