arXiv subjects

Ivan Fernandez-Corbaton

Publications and source records attributed to Ivan Fernandez-Corbaton.

At least 37 records · Page 2Linked to original sources

arXiv2023

A scalar product for computing fundamental quantities in matter

We introduce a systematic way to obtain expressions for computing the amount of fundamental quantities such as helicity and angular momentum contained in static matter, given its charge and magnetization densities. The method is based on a scalar product that we put forward, which is invariant under the ten-parameter conformal group in three-dimensional Euclidean space. Such group is obtained as the static restriction (frequency $ω=0$) of the symmetry group of Maxwell equations: The fifteen-parameter conformal group in 3+1 Minkowski spacetime. In an exemplary application, we compute the helicity and angular momentum squared stored in a magnetic Hopfion.

physics.optics↗

arXiv2023

A digital twin for a chiral sensing platform

Nanophotonic concepts can improve many measurement techniques by enhancing and tailoring the light-matter interaction. However, the optical response of devices that implement such techniques can be intricate, depending on the sample under investigation. That combination of a promise and a challenge makes nanophotonics a ripe field for applying the concept of a digital twin: a digital representation of an entire real-world device. In this work, we detail the concept of a digital twin with the example of a nanophotonically-enhanced chiral sensing platform. In that platform, helicity-preserving cavities with diffractive mirrors enhance the light-matter interaction between chiral molecules and circularly polarized light, allowing a faster measurement of the circular dichroism of the molecules. However, the sheer presence of the molecules affects the cavity's functionality, demanding a holistic treatment to understand the device's performance. In our digital twin, optical and quantum chemistry simulations are fused to provide a comprehensive description of the device with the molecules across all length scales and predict the circular dichroism spectrum of the device containing molecules to be sensed. Performing simulations in lockstep with the experiment will allow a clear interpretation of the results of complex measurements. We also demonstrate how to design a cavity-enhanced circular dichroism spectrometer by utilizing our digital twin. The digital twin can be used to guide experiments and analyze results, and its underlying concept can be translated to many other optical experiments.

physics.optics↗

arXiv2023

treams -- A T-matrix scattering code for nanophotonic computations

We report the publication of treams, a new software for electromagnetic scattering computations based on the T-matrix method. Besides conventional T-matrix calculations for individual scatterers and finite clusters of particles, a unique feature of the code is its full support for periodic boundaries in one, two, and all three spatial dimensions. We use highly efficient and quickly converging lattice summation techniques based on the Ewald method to evaluate the arising lattice sums in these cases. In addition to the common use of vector spherical waves as a basis set for the T-matrix, vector cylindrical waves are also implemented. To describe stratified media, vector plane waves are used with an S-matrix description of the electromagnetic scattering. All basis sets and the associated methods can be used together with chiral constitutive relations. This contribution outlines the basic methods implemented and the program structure. Two interfaces to the implemented functionality are available: a flexible and fast low-level interface and a high-level interface for added convenience and plausibility checks. We conclude with two examples: a demonstration of the field calculation in various lattices and the explorations of quasi-bound states in the continuum. The presented code was already used in calculations for various physical systems: from the mode properties of molecular arrays in cavities to analytical models for metasurfaces and from moiré lattices to the homogenization of artificial photonic materials. With the publication of treams and the associated documentation, we hope to empower more scientists to make an efficient, fast, and precise exploration of nanophotonic systems that can be described in the broader framework of scattering theory. The full code is published at https://github.com/tfp-photonics/treams with the documentation at https://tfp-photonics.github.io/treams .

physics.comp-ph↗

arXiv2023

A Multi-Scale Approach to Simulate the Nonlinear Optical Response of Molecular Nanomaterials

Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical Maxwell-scattering computations. In this approach, the first hyperpolarizability tensor is computed with time-dependent density-functional theory and translated into a multi-scattering formalism that considers the optical interaction between neighboring molecules. A novel object is introduce to perform this transition from quantum-chemistry to classical scattering theory: the Hyper-Transition(T)-matrix. With this object at hand, the nonlinear optical response from single molecules and also from entire photonic devices can be computed, incorporating the full tensorial and dispersive nature of the optical response of the molecules. To demonstrate the applicability of our novel approach, the generation of a second-harmonic signal from a thin film of a Urea molecular crystal is computed and compared to more traditional simulations. Furthermore, an optical cavity is designed, which enhances the second-harmonic response of the molecular film by more than two orders of magnitude. Our approach is highly versatile and accurate and can be the working horse for the future exploration of nonlinear photonic molecular materials in structured photonic environments.

physics.optics↗

arXiv2023

The Polychromatic T-matrix

The T-matrix is a powerful tool that provides the complete description of the linear interaction between the electromagnetic field and a given object. In here, we generalize the usual monochromatic formalism to the case of polychromatic field-matter interaction. The group of transformations of special relativity provides the guidance for building the new formalism, which is inherently polychromatic. The polychromatic T-matrix affords the direct treatment of the interaction of electromagnetic pulses with objects, even when the objects move at constant relativistic speeds.

physics.optics↗

arXiv2023

Exploring Functional Photonic Devices made from a Chiral Metal-Organic Framework Material by a Multiscale Computational Method

Electronic circular dichroism is an important optical phenomenon offering insights into chiral molecular materials. On the other hand, metal-organic frameworks (MOFs) are a novel group of crystalline porous thin-film materials that provide tailor-made chemical and physical properties by carefully selecting their building units. Combining these two aspects of contemporary material research and integrating chiral molecules into MOFs promises devices with unprecedented functionality. However, considering the nearly unlimited degrees of freedom concerning the choice of materials and the geometrical details of the possibly structured films, we urgently need to complement advanced experimental methods with equally strong modeling techniques. Most notably, these modeling techniques must cope with the challenge that the material and devices thereof cover size scales from Ångströms to mm. In response to that need, we outline a computational workflow that seamlessly combines quantum chemical methods to capture the properties of individual molecules with optical simulations to capture the properties of functional devices made from these molecular materials. We concentrate on chiral properties and apply our work to UiO-67-BINOL MOFs, for which experimental results are available to benchmark the results of our simulations and explore the optical properties of cavities and metasurfaces made from that chiral material.

cond-mat.mtrl-sci↗

arXiv2022

Maximizing the electromagnetic chirality of thin metallic nanowires at optical frequencies

Electromagnetic waves impinging on three-dimensional helical metallic metamaterials have been shown to exhibit chiral effects of large magnitude both theoretically and in experimental realizations. Chirality here describes different responses of scatterers, materials, or metamaterials to left and right circularly polarized electromagnetic waves. These differences can be quantified in terms of electromagnetic chirality measures. In this work we consider the optimal design of thin metallic free-form nanowires that possess measures of electromagnetic chirality as large as fundamentally possible. We focus on optical frequencies and use a gradient based optimization scheme to determine the optimal shape of highly chiral thin silver and gold nanowires. The electromagnetic chirality measures of our optimized nanowires exceed that of traditional metallic helices. Therefore, these should be well suited as building blocks of novel metamaterials with an increased chiral response. We discuss a series of numerical examples, and we evaluate the performance of different optimized designs.

math.OC↗

arXiv2022

A T-matrix Based Approach to Homogenize Artificial Materials

The accurate and efficient computation of the electromagnetic response of objects made from artificial materials is crucial for designing photonic functionalities and interpreting experiments. Advanced fabrication techniques can nowadays produce new materials as three-dimensional lattices of scattering unit cells. Computing the response of objects of arbitrary shape made from such materials is typically computationally prohibitive unless an effective homogeneous medium approximates the discrete material. In here, we introduce a homogenization method based on the effective T-matrix. Such a matrix captures the exact response of the discrete material, is determined by the T-matrix of the isolated unit cell and the material lattice vectors, and is free of spatial dispersion. The truncation of the effective T-matrix to dipolar order determines the common bi-anisotropic constitutive relations. When combined with quantum-chemical and Maxwell solvers, the method allows one to compute the response of arbitrarily-shaped volumetric patchworks of structured molecular materials and metamaterials.

physics.optics↗

arXiv2022

Lattice Sums Accommodating Multiple Sublattices for Solutions of the Helmholtz Equation in Two and Three Dimensions

The evaluation of the interaction between objects arranged on a lattice requires the computation of lattice sums. A scenario frequently encountered are systems governed by the Helmholtz equation in the context of electromagnetic scattering in an array of particles forming a metamaterial, a metasurface, or a photonic crystal. While the convergence of direct lattice sums for such translation coefficients is notoriously slow, the application of Ewald's method converts the direct sums into exponentially convergent series. We present a derivation of such series for the 2D and 3D solutions of the Helmholtz equation, namely spherical and cylindrical solutions. When compared to prior research, our novel expressions are especially aimed at computing the lattice sums for several interacting sublattices in 1D lattices (chains), 2D lattices (gratings), and 3D lattices. We verify our results by comparison with the direct computation of the lattice sums.

physics.optics↗

arXiv2021

Efficient simulation of bi-periodic, layered structures based on the T-matrix method

Predicting the optical response of macroscopic arrangements of individual scatterers is a computational challenge, as the problem involves length scales across multiple orders of magnitude. We present a full-wave optical method to highly efficiently compute the scattering of light at objects that are arranged in bi-periodic arrays. Multiple arrays or homogeneous thin-films can be stacked to build up an entire multicomposite material in the third dimension. The scattering properties of the individual objects in each array are described by the T-matrix formalism. Therefore, arbitrarily shaped objects and even molecules can be the basic constituent of the arrays. Taking the T-matrix of the individual scatterer as the point of departure allows to explain the optical properties of the bulk material from the scattering properties of its constituents. We use solutions of Maxwell's equations with well defined helicity. Therefore, chiral media are particularly easy to consider as materials for both scatterers or embedding media. We exemplify the efficiency of the algorithm with an exhaustive parametric study of anti-reflective coatings for solar cells made from cylinders with a high degree of helicity preservation. The example shows a speed-up of about 500 with respect to finite-element computations. A second example specifically exploits the use helicity modes to investigate the enhancement of the circular dichroism signal in a chiral material.

physics.optics↗

arXiv2021

Total helicity of electromagnetic fields and matter

The electromagnetic helicity of the free electromagnetic field and the static magnetic helicity are shown to be two different embodiments of the same physical quantity, the total helicity. The total helicity is the sum of two terms: a term that measures the difference between the number of left-handed and right-handed photons of the free field, and another term that measures the screwiness of the static magnetization density in matter. Each term is the manifestation of the total helicity in different frequency regimes: $ω$ > 0 and $ω$ = 0, respectively. This unification establishes the theoretical basis for studying the conversion between the two embodiments of total helicity upon light-matter interaction.

physics.optics↗

arXiv2021

On enhanced sensing of chiral molecules in optical cavities

The differential response of chiral molecules to incident left- and right- handed circularly polarized light is used for sensing the handedness of molecules. Currently, significant effort is directed towards enhancing weak differential signals from the molecules, with the goal of extending the capabilities of chiral spectrometers to lower molecular concentrations or small analyte volumes. Previously, optical cavities for enhancing vibrational circular dichroism have been introduced. Their enhancements are mediated by helicity-preserving cavity modes which maintain the handedness of light due to their degenerate TE and TM components. In this article, we simplify the design of the cavity, and numerically compare it with the previous one using an improved model for the response of chiral molecules. We use parameters of molecular resonances to show that the cavities are capable of bringing the vibrational circular dichroism signal over the detection threshold of typical spectrometers for concentrations that are one to three orders of magnitude smaller than those needed without the cavities, for a fixed analyte volume. Frequency resolutions of current spectrometers result in enhancements of more than one order (two orders) of magnitude for the new (previous) design. With improved frequency resolution, the new design achieves enhancements of three orders of magnitude. We show that the TE/TM degeneracy in perfectly helicity preserving modes is lifted by factors that are inherent to the cavities. More surprisingly, this degeneracy is also lifted by the molecules themselves due to their lack of electromagnetic duality symmetry, that is, due to the partial change of helicity during the light-molecule interactions.

physics.optics↗

arXiv2020

Directional coupling of emitters into waveguides: A symmetry perspective

Recent experiments demonstrated strongly directional coupling of light into waveguide modes. We identify here the mechanisms behind this effect. We consider emitters near a waveguide, either centered on the median plane of the waveguide, or displaced from such plane. We show that, independently of the displacement, the directionality is mostly due to a mirror symmetry breaking caused by the axial character of the angular momentum of the emitted light. The sign of the angular momentum along an axis transverse to the waveguide determines the preferential coupling direction. The degree of directionality grows exponentially as the magnitude of such transverse angular momentum increases linearly. We trace this exponential dependence back to a property of the evanescent angular spectrum of the emissions. A binary and less pronounced directional coupling effect due to the chiral character of the handedness of the emission is possible when the displacement of the emitter breaks another of the mirror symmetries of the waveguide. We find a selection rule that allows or prevents the coupling of centered electric(magnetic) multipolar emissions onto the waveguide modes. We also show that the selection of a different angular momentum axis made in some experiments causes significant differences in the way in which directionality depends on angular momentum. We then use these differences to propose an experiment featuring a transverse magnetic bias that allows to aggregate the directional emissions from quantum dots on top of waveguides. Our symmetry-based results apply to any emitted multipolar order, clarify the spin-momentum locking concept, and generalize it to an exponentially-strong locking between the transverse angular momentumand the preferential coupling direction.

physics.optics↗

arXiv2020

Optimal circular dichroism sensing with quantum light: Multi-parameter estimation approach

The measurement of circular dichroism (CD) has widely been exploited to distinguish the different enantiomers of chiral structures. It has been applied to natural materials (e.g. molecules) as well as to artificial materials (e.g. nanophotonic structures). However, especially for chiral molecules the signal level is very low and increasing the signal-to-noise ratio is of paramount importance to either shorten the necessary measurement time or to lower the minimum detectable molecule concentration. As one solution to this problem, we propose here to use quantum states of light in CD sensing to reduce the noise below the shot noise limit that is encountered when using coherent states of light. Through a multi-parameter estimation approach, we identify the ultimate quantum limit to precision of CD sensing, allowing for general schemes including additional ancillary modes. We show that the ultimate quantum limit can be achieved by various optimal schemes. It includes not only Fock state input in direct sensing configuration but also twin-beam input in ancilla-assisted sensing configuration, for both of which photon number resolving detection needs to be performed as the optimal measurement setting. These optimal schemes offer a significant quantum enhancement even in the presence of additional system loss. The optimality of a practical scheme using a twin-beam state in direct sensing configuration is also investigated in details as a nearly optimal scheme for CD sensing when the actual CD signal is very small. Alternative schemes involving single-photon sources and detectors are also proposed. This work paves the way for further investigations of quantum metrological techniques in chirality sensing.

quant-ph↗

arXiv2020

Achiral, Helicity Preserving, and Resonant Structures for Enhanced Sensing of Chiral Molecules

We derive a set of design requirements that lead to structures suitable for molecular circular dichroism (CD) enhancement. Achirality of the structure and two suitably selected sequentially incident beams of opposite helicity ensures that the CD signal only depends on the chiral absorption properties of the molecules, and not on the achiral ones. Under this condition, a helicity preserving structure, which prevents the coupling of the two polarization handednesses, maximizes the enhancement of the CD signal for a given ability of the structure to enhance the field. When the achirality and helicity preservation requirements are met, the enhancement of the CD signal is directly related to the enhancement of the field. Next, we design an exemplary structure following the requirements. The considered system is a planar array of silicon cylinders under normally incident plane-wave illumination. Full-wave numerical calculations show that the enhancement of the transmission CD signal is between 6.5 and 3.75 for interaction lengths between 1.25 and 3 times the height of the cylinders.

physics.optics↗

arXiv2020

Helicity-preserving optical cavity modes for enhanced sensing of chiral molecules

Researchers routinely sense molecules by their infrared vibrational "fingerprint" absorption resonances. In addition, the dominant handedness of chiral molecules can be detected by circular dichroism (CD), the normalized difference between their optical response to incident left- and right- handed circularly polarized light. Here, we introduce a cavity composed of two parallel arrays of helicity-preserving silicon disks that allows to enhance the CD signal by more than two orders of magnitude for a given molecule concentration and given thickness of the cell containing the molecules. The underlying principle is first-order diffraction into helicity-preserving modes with large transverse momentum and long lifetimes. In sharp contrast, in a conventional Fabry-Perot cavity, each reflection flips the handedness of light, leading to large intensity enhancements inside the cavity, yet to smaller CD signals than without the cavity.

physics.optics↗

arXiv2019

A conformally invariant derivation of average electromagnetic helicity

The average helicity of a given electromagnetic field measures the difference between the number of left- and right-handed photons contained in the field. In here, the average helicity is derived using the conformally-invariant inner-product for Maxwell fields. Several equivalent integral expressions in momentum space, in $(\mathbf{r},t)$ space, and in the time-harmonic $(\mathbf{r},ω)$ space are obtained, featuring Riemann-Silberstein-like fields and potentials. The time-harmonic expressions can be directly evaluated using the outputs of common numerical solvers of Maxwell equations. The results are shown to be equivalent to the well-known volume integral for the average helicity, featuring the electric and magnetic fields and potentials.

physics.optics↗

arXiv2019

Interaction of atomic systems with quantum vacuum beyond electric dipole approximation

The photonic environment can significantly influence emission properties and interactions among atomic systems. In such scenarios, frequently the electric dipole approximation is assumed that is justified as long as the spatial extent of the atomic system is negligible compared to the spatial variations of the field. While this holds true for many canonical systems, it ceases to be applicable for more contemporary nanophotonic structures. To go beyond the electric dipole approximation, we propose and develop in this article an analytical framework to describe the impact of the photonic environment on emission and interaction properties of atomic systems beyond the electric dipole approximation. Particularly, we retain explicitly magnetic dipolar and electric quadrupolar contributions to the light-matter interactions. We exploit a field quantization scheme based on electromagnetic Green's tensors, suited for dispersive materials. We obtain expressions for spontaneous emission rate, Lamb shift, multipole-multipole shift and superradiance rate, all being modified with dispersive environment. The considered influence could be substantial for suitably tailored nanostructured photonic environments, as demonstrated exemplarily.

quant-ph↗