Enhancing the energy output of solar cells increases their competitiveness as a source of energy. Producing thinner solar cells is attractive, but a thin absorbing layer demands excellent light management in order to keep transmission- and reflection-related losses of incident photons at a minimum. We maximize absorption by trapping light rays to make the mean average path length in the absorber as long as possible. In chaotic scattering systems, there are ray trajectories with very long lifetimes. In this paper, we investigate the scattering dynamics of waves in a model system using principles from the field of quantum chaotic scattering. We quantitatively find that the transition from regular to chaotic scattering dynamics correlates with the enhancement of the absorption cross section and propose the use of an autocorrelation function to assess the average path length of rays as a possible way to verify the light-trapping efficiency experimentally.

During recent years, ray tracing has frequently been used to study the absorption characteristics of structured solar cells. However, wave properties such as absorption enhancement due to resonances in optically thin solar films, cannot be explained by pure classical ray models. Here we present an exact three-dimensional ray model for oblique incidence of a plane electromagnetic wave on a thin film and show that the resonant structure of the absorption cross section calculated from our ray model is identical to exact calculations by electromagnetic wave theory. Both parallel and perpendicular polarized light are described exactly by the ray model presented. We validate the resonant structure of the absorption cross section of our ray model by an experimentally realized layered film, where we obtain perfect agreement between experiment and theory. We demonstrate further that for a beam with a finite beam waist, in accordance with Beer-Lambert's law, absorption occurs along the path of the beam, while, in the case of a plane wave incident on an optically thin film, and contrary to Beer-Lambert's law, absorption occurs along the axis perpendicular to the surface of the film.

To reduce costs, the solar cell industry aims at producing thinner solar cells. Structuring the surfaces of optically thin devices is important for avoiding transmission-related losses and, hence, increasing their efficiency. Light trapping leads to longer optical pathlengths and increased absorption of energy. In addition, resonances in the nanostructures enhance the absorption in the energy-converting material. Further, resonances in periodic structures may couple with each other and thereby increase the absorption. Here, we establish a model system consisting of a multilayered solar cell to study resonances and coupling of resonances in a one-dimensional system. We show that resonances in energy-converting and nonenergy converting layers exist, evaluate the resonances and the coupling of resonances in different thin-film systems, and show how they affect the total absorption of energy in the energy-converting layer. We optimize the parameters of the multilayered thin-film systems to achieve an increase in the amount of the absorbed energy. We find that resonances in nonabsorbing material at the top may lead to absorption enhancement, while we cannot find any enhancement effect due to the coupling of resonances. (C) The Authors. Published by SPIE under a Creative Commons Attribution 4.0 Unported License.

There is a profound duality between rays and waves. In fact, 70 years ago, in the context of quantum mechanics, Feynman showed that rays, properly equipped with phases and correctly summed, provide exact solutions of the quantum mechanical wave equation. In this paper, constructing explicit, exact ray solutions of the onedimensional Helmholtz equation as a model for optically thin solar cells, we show that the ray-wave duality is also exact in the context of the electromagnetic wave equations. We introduce a complex index of refraction in order to include absorption. This have so far not been treated in the quantum ray-splitting literature. We show that inclusion of exact phases is mandatory and that a ray theory without phases may result in amplitude errors of up to 60%. We also show that in the case of multi-layered solar cells the correct summation order of rays is important. Providing support for the notion that rays provide the “skeleton” of electromagnetic waves, we perform a Fourier transform of the (experimentally measurable) solar cell reflection amplitude, which reveals the rays as peaks in the optical path length spectrum. An application of our exact ray theory to a silicon solar cell is also provided. Treating the one-dimensional case exactly, our paper lays the foundation for constructing exact ray theories for application to solar cell absorption cross section in two and three dimensions.

Midinfrared absorbance spectra obtained from spatially inhomogeneous and finite samples often contain scattering effects characterized by derivative-like bands with shifted peak positions. Such features may be interpreted and accurately modeled by Fano theory when the imaginary part of the complex dielectric function is small and Lorentzian in nature-as is the case for many biological media. Furthermore, by fitting Fano line shapes to isolated absorbance bands, recovery of the peak position and pure absorption strength can be obtained with high accuracy. Additionally, for small and optically soft spherical scatterers, recovery of one or the other of constant refractive index or radius (given approximate knowledge of the other) is possible.

In order to reduce costs, the solar cell industry is aiming at producing ever thinner solar cells. Structuring the surfaces of optically thin solar cells is important for avoiding excessive transmission-related losses and, hence, to maintain or increase their efficiency. Light trapping leading to longer optical path lengths within the solar cells is a well established field of research. In addition to this, other possible benefits of structured surfaces have been proposed. It has been suggested that nanostructures on the surface of thin solar cells function as resonators, inducing electric-field resonances that enhance absorption in the the energy-converting material. Further, coupling of electric field resonances in periodically structured solar cells may couple with each other thereby increasing the absorption of energy. A deeper understanding of the nature of the energy-conversion enhancement in surface-structured and thin solar cells would allow to design more targeted structures. Generally, efficiency enhancement may be evaluated by investigating the electric field and optimizing the optical generation rate. Here, we establish a model system consisting of multilayered solar cells in order to study resonances and coupling of resonances in a one-dimensional system. We show that resonances in energy-converting and non-energy converting layers exist. The coupling of resonances in the non-energy converting material and the energy-converting material is only possible for certain parameter ranges of thickness of the energy converting material and the imaginary part of the refractive index. We evaluate the resonances and the coupling of resonances in different thin-film systems and show how they affect the total absorption of energy in the energy converting layer. We show how resonances in non-absorbing layers can contribute to increasing the resonances in the absorbing layers. We optimize the parameters of the multilayered thin-film systems to achieve an increase in the amount of the absorbed energy. The optimization is also evaluated for an experimentally realizable thin-film solar cell.

Conceptually, biological cells are dielectric, photonic resonators that are expected to show a rich variety of shape resonances when exposed to electromagnetic radiation. For spheroidal cells, these shape resonances may be predicted and analyzed using the Mie theory of dielectric spheres, which predicts that a special class of resonances, i.e., whispering gallery modes (WGMs), causes ripples in the absorbance spectra of spheroidal cells. Indeed, the first tentative indication of the presence of Mie ripples in the synchrotron Fourier transform infrared (SFTIR) absorbance spectra of Juniperus chinensis pollen has already been reported [Analyst140, 3273 (2015)ANLYAG0365-488510.1039/C5AN00401B]. To show that this observation is no isolated incidence, but a generic spectral feature that can be expected to occur in all spheroidal biological cells, we measured and analyzed the SFTIR absorbance spectra of Cunninghamia lanceolata, Juniperus chinensis, Juniperus communis, and Juniperus excelsa. All four pollen species show Mie ripples. Since the WGMs causing the ripples are surface modes, we propose ripple spectroscopy as a powerful tool for studying the surface properties of spheroidal biological cells. In addition, our paper draws attention to the fact that shape resonances need to be taken into account when analyzing (S)FTIR spectra of isolated biological cells since shape resonances may distort the shape or mimic the presence of chemical absorption bands.

Mie scattering effects create serious problems for the interpretation of Fourier‐transform infrared spectroscopy spectra of single cells and tissues. During recent years, different techniques were proposed to retrieve pure absorbance spectra from spectra with Mie distortions. Recently, we published an iterative algorithm for correcting Mie scattering in spectra of single cells and tissues, which we called “the fast resonant Mie scatter correction algorithm.” The algorithm is based on extended multiplicative signal correction (EMSC) and employs a meta‐model for a parameter range of refractive index and size parameters. In the present study, we suggest several improvements of the algorithm. We demonstrate that the improved algorithm reestablishes chemical features of the measured spectra, and show that it tends away from the reference spectrum employed in the EMSC. We suggest strategies for choosing parameter ranges and other model parameters such as the number of principal components of the meta‐model and the number of iterations. We demonstrate that the suggested algorithm optimizes an error function of the refractive index in a forward Mie model. We suggest a stop criterion for the iterative algorithm based on the error function of the forward model.

We performed high-resolution Fourier-transform infrared (FTIR) spectroscopy of a polymethyl methacrylate (PMMA) sphere of unknown size in the Mie scattering region. Apart from a slow, oscillatory structure (wiggles), which is due to an interference effect, the measured FTIR extinction spectrum exhibits a ripple structure, which is due to electromagnetic resonances. We fully characterize the underlying electromagnetic mode structure of the spectrum by assigning mode numbers to each of the ripples in the measured spectrum. We show that analyzing the ripple structure in the spectrum in the wavenumber region from about 3000  cm-1 to 8000  cm-1 allows us to determine both the unknown radius of the sphere and the PMMA index of refraction, which shows a strong frequency dependence in this infrared spectral region. While in this paper we focus on examining a PMMA sphere as an example, our method of determining the refractive index and its dispersion from infrared extinction spectra is generally applicable for the determination of the index of refraction of any transparent substance that can be shaped into micron-sized spheres.

Strong Mie scattering signatures hamper the chemical interpretation and multivariate analysis of the infrared microscopy spectra of single cells and tissues. During recent years, several numerical Mie scatter correction algorithms for the infrared spectroscopy of single cells have been published. In the paper at hand, we critically reviewed existing algorithms for the correction of Mie scattering and suggest improvements. We developed an iterative algorithm based on Extended Multiplicative Scatter Correction (EMSC), for the retrieval of pure absorbance spectra from highly distorted infrared spectra of single cells. The new algorithm uses the van de Hulst approximation formula for the extinction efficiency employing a complex refractive index. The iterative algorithm involves the establishment of an EMSC meta-model. While existing iterative algorithms for the correction of resonant Mie scattering employ three independent parameters for establishing a meta-model, we could decrease the number of parameters from three to two independent parameters, which reduced the calculation time for the Mie scattering curves for the iterative EMSC meta-model by a factor of 10. Moreover, by employing the Hilbert transform for evaluating the Kramers-Kronig relations based on a FFT algorithm in Matlab, we further improved the speed of the algorithm by a factor of 100. For testing the algorithm we simulate distorted apparent absorbance spectra by utilizing the exact theory for the scattering of infrared light at absorbing spheres, taking into account the high numerical aperture of infrared microscopes employed for the analysis of single cells and tissues. In addition, the algorithm was applied to measured absorbance spectra of single lung cancer cells.

We performed high-resolution Fourier-transform infrared (FTIR) spectroscopy of a polymethyl methacrylate (PMMA) sphere of unknown size in the Mie scattering region. Apart from a slow, oscillatory structure (wiggles), which is due to an interference effect, the measured FTIR extinction spectrum exhibits a ripple structure, which is due to electromagnetic resonances. We fully characterize the underlying electromagnetic mode structure of the spectrum by assigning two mode numbers to each of the ripples in the measured spectrum. We show that analyzing the ripple structure in the spectrum in the wavenumber region from about $3000\,$cm$^{-1}$ to $8000\,$cm$^{-1}$ allows us to both determine the unknown radius of the sphere and the PMMA index of refraction, which shows a strong frequency dependence in this near-infrared spectral region. While in this paper we focus on examining a PMMA sphere as an example, our method of determining the refractive index and its dispersion from synchrotron infrared extinction spectra is generally applicable for the determination of the index of refraction of any transparent substance that can be shaped into micron-sized spheres.

In this paper, we first provide an overview of the Mie type scattering at absorbing materials and existing correction methods, followed by a new method to obtain the pure absorbance spectra of biological systems with spherical symmetry. This method is a further development of the recently described iterative algorithm of van Dijk et al. The method is tested on FTIR synchrotron spectra of polymethyl methacrylate (PMMA) microspheres and pollen grains with approximately spherical shape. The imaginary part of the refractive index was successfully recovered for both systems. Good agreement was obtained between the pure absorbance spectra obtained by this method and the measured spectra.

The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

Recently, we have constructed structural models for flatly deposited amorphous Se (a-Se) and using these configurations we have developed atomic scale model of photoinduced volume changes in this type of films. In this paper the same work on obliquely deposited thin film is presented. Universal description for the kinetics of photoinduced volume change in chalcogenide glasses is proposed based on our results. Our model containing reversible (transient) and irreversible (metastable) parts for kinetics fits well the experimental results of both obliquely and flatly deposited a-AsSe thin films. Finally, we make a brief comment on stretched exponential function which could also provide a quite good fit to experimental data.

In flatly deposited a-Se films photoexpansion has been found due to covalent bond breaking during the electron excitation process, and simultaneously photocontraction due to inter-chain bond formation in the case of hole creation. Determination and explanation of the microscopic photoinduced changes in amorphous selenium structure was the purpose of this investigation. For this purpose Raman spectra measurements have been carried out on flatly amorphous selenium (a-Se). Reversible covalent bond breaking process was found as a consequence of band gap light illumination in the experiments. Our bond breaking model obtained using Molecular Dynamics simulations has been confirmed experimentally by Raman spectroscopy. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

The structures and the photoinduced volume changes of obliquely deposited amorphous selenium were studied using Molecular Dynamics computer simulation. Obliquely deposited a-Se thin films contain larger voids than the flatly deposited ones. Our computer simulations confirmed that the preparation method strongly determines the photoinduced changes of the chalcogenide glasses. We described in detail for the first time the complex atomic rearrangements occurring on photo-excitation in porous samples, which are reversible and irreversible photo contraction/expansion, bond breakings and formations (both inter- and intrachain). A model for the kinetics of the photoinduced volume changes of flatly and obliquely deposited chalcogenide thin films is presented. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Hartree–Fock ab initio Raman spectra calculations and Raman spectroscopic measurements were carried out on amorphous selenium in order to identify the characteristic vibrational mode due to sigma bonds. Variations in measured peak intensity were observed as a consequence of band gap light illumination. Based on our previous theoretical investigations we originate these intensity variations from photoinduced covalent bond breaking.

Based on bond angle an elementary atomic triad model is proposed for the estimation of atomic charge accumulation inside distorted selenium chains. The calculated charges applying this model are in a good correlation with charge accumulations on selenium atoms derived by the Hartree–Fock ab initio method. Using this model the distribution of atomic charge accumulation is estimated in amorphous selenium.

Atomic scale computer simulations on structures and photo induced volume changes of flatly and obliquely deposited amorphous selenium films have been carried out in order to understand how the properties of chalcogenide glasses are influenced by their preparation method. Obliquely deposited a-Se thin films contain more coordination defects, larger voids than the flatly deposited ones. To model the photo induced volume changes the electron excitation and hole creation were treated independently within the framework of tight-binding formalism. Covalent and interchain bond breakings and formations were found. The obliquely deposited samples containing voids showed a wide spectrum of photo induced structural changes in microscopic and volume changes in macroscopic levels.