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DOE OSTI2024

Infrared Optical Anisotropy in Quasi‐1D Hexagonal Chalcogenide BaTiSe 3

Polarimetric infrared (IR) detection bolsters IR thermography by leveraging the polarization of light. Optical anisotropy, i.e., birefringence and dichroism, can be leveraged to achieve polarimetric detection. Recently, giant optical anisotropy is discovered in quasi-1D narrow-bandgap hexagonal perovskite sulfides, A 1+x TiS 3 , specifically BaTiS 3 and Sr 9/8 TiS 3 . In these materials, the critical role of atomic-scale structure modulations in the unconventional electrical, optical, and thermal properties raises the broader question of the nature of other materials that belong to this family. To address this issue, for the first time, high-quality single crystals of a largely unexplored member of the A 1+x TiX 3 (X = S, Se) family, BaTiSe 3 are synthesized. Single-crystal X-ray diffraction determined the room-temperature structure with the P31c space group, which is a superstructure of the earlier reported P6 3 /mmc structure. The crystal structure of BaTiSe 3 features antiparallel c-axis displacements similar to but of lower symmetry than BaTiS 3 , verified by the polarization dependent Raman spectroscopy. Fourier transform infrared (FTIR) spectroscopy is used to characterize the optical anisotropy of BaTiSe 3 , whose refractive index along the ordinary (E ⊥ c) and extraordinary (E ‖ c) optical axes is quantitatively determined by combining ellipsometry studies with FTIR. With a giant birefringence Δn ∼ 0.9, BaTiSe 3 emerges as a new candidate for miniaturized birefringent optics for mid-wave infrared to long-wave infrared imaging.

optical anisotropy↗

DOE OSTI2019

Probability of radiation of twisted photons in the infrared domain

Highlights: •Infrared asymptotics of twisted photon radiation in QED is studied. •General selection rules for the twisted photon radiation are proved. •Exact formulas for the twisted photon edge radiation are obtained. •Edge radiation is a superradiant source of twisted photons in the infrared domain. -- Abstract: The infrared asymptotics of the probability of radiation of twisted photons in an arbitrary scattering process of quantum electrodynamics in vacuum is investigated. This asymptotics is universal and corresponds to the radiation produced by a classical current. Such radiation is known as edge radiation. We represent it in terms of twisted photons, and exact analytical formulas for the average number of radiated twisted photons are derived. We find the average projection of the total angular momentum of the edge radiation and the angular momentum per photon. It is shown that edge radiation can be used as a source of twisted photons with a large angular momentum. Moreover, this radiation can be employed as a superradiant coherent source of twisted photons in the infrared domain, in particular, the THz part of the electromagnetic spectrum. Several general selection rules for the radiation and absorption of twisted photons are proved. In particular, these selection rules allow one to modulate the one-particle radiation probability by means of scattering of charged particles on symmetrically arranged crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Compact space and infrared behavior of the effective QCD

Highlights: • Infrared regime of the effective theory in the new quadratic gauge on 4-sphere is investigated. • Abelian dominance is observed in the ghost condensed vacuum of this theory on 4-sphere. • Curvature of 4-sphere does not change the infrared behavior of present theory on 4-sphere from that of the quadratic gauge fixed theory in Euclidean spacetime. • Mass of an off-diagonal gluon on 4-sphere becomes position dependent as a consequence of curvature of 4-sphere. We aim to investigate the infrared regime in the effective theory of the new quadratic gauge in the physical compact space by defining it on 4-sphere. Abelian dominance is characterized by off-diagonal gluons acquiring dynamical masses and it hints at existence of confinement. We do observe Abelian dominance in the ghost condensed vacuum of this theory on 4-sphere. Along with this observation, we find an unusual result that mass of an off-diagonal gluon on 4-sphere is position dependent in this theory as a consequence of the curved geometry. This suggests that the curvature of 4-sphere does not change the infrared behavior of present theory on 4-sphere from that of the theory with the same quadratic gauge in Euclidean spacetime as Abelian dominance is observed in Euclidean spacetime too while it has caused mass of an off-diagonal gluon on 4-sphere to be position dependent. The effective action in the confined phase on 4-sphere and that in the 4-dim Euclidean space are found to be identical in a profound outcome.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Lightning radiometry in visible and infrared bands

Calibrated measurements of lightning optical emissions are critical for both quantifying the impacts of lightning in our atmosphere and devising detection instruments with sufficient dynamic range capable of yielding close to 100% detection efficiency. However, to date, there is only a limited number of investigations that have attempted to take such calibrated measurements. Here, in this work, we report the power radiated by lightning in both visible and infrared bands, assuming isotropic emission, and accounting for atmospheric absorption. More precisely, we report peak radiated power and total radiated energy in the combined visible plus near-infrared range (VNIR, 0.34–1.1 μm), around the H α line (652–667 nm), and for the 2–2.5 μm infrared band. The estimated peak power and total energy radiated by negative cloud-to-ground return strokes in the VNIR range is 130 MW and 20 kJ, respectively. Additionally, we detected peak radiated powers of 12 and 0.19 MW in the H α and infrared bands, respectively. We cross-reference the optical data set with peak current reported by a lightning detection network. The resulting trend is that optical power emitted around the H α line scales with peak return stroke current according to a power law with exponent equal to 1.25. This trend, which should be approximately true across the entire visible spectrum, can be attributed to the plasma negative differential resistance of the lightning return stroke channel. We conclude by discussing the challenges in performing calibrated measurements of lightning optical power in different bands and comparing the results with previously-collected data with different experimental setups, observation conditions, and calibration methods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Synthesis and characterization of F-doped Cs{sub 0.33}WO{sub 3−x}F{sub x} particles with improved near infrared shielding ability

F-doped Cs{sub 0.33}WO{sub 3−x}F{sub x} particles were successfully synthesized by the hydrothermal method with hydrofluoric acid as fluorine source, and a new kind of heat insulating films were prepared from dispersion of Cs{sub 0.33}WO{sub 3−x}F{sub x} nanoparticles in polyvinyl alcohol (PVA) aqueous solution. The effects of F doping on the crystal structure and morphology of Cs{sub 0.33}WO{sub 3−x}F{sub x} particles as well as the near-infrared (NIR) shielding ability and heat insulation properties of Cs{sub 0.33}WO{sub 3−x}F{sub x} films were investigated. The results indicated that HF acid addition could promote the formation of rod-like Cs{sub 0.33}WO{sub 3−x}F{sub x} particles during hydrothermal synthesis and increase the yield of Cs{sub 0.33}WO{sub 3−x}F{sub x} powders. Moreover, the as-prepared films from dispersion solution of Cs{sub 0.33}WO{sub 3−x}F{sub x} particles exhibited higher near-infrared (NIR) shielding ability and heat insulating properties than that of the undoped Cs{sub 0.33}WO{sub 3} film. Particularly, the as-prepared Cs{sub 0.33}WO{sub 3−x}F{sub x} sample with F/W (molar ratio)=0.45 showed best NIR shielding ability and transparent heat insulating performance. The formation mechanism of nanorod-like particles and the effects of F doping on the properties of Cs{sub 0.33}WO{sub 3−x}F{sub x} products were discussed. - Graphical abstract: F-doped Cs{sub 0.33}WO{sub 3−x}F{sub x} particles were successfully synthesized by the hydrothermal method with hydrofluoric acid as fluorine source. HF acid addition in the precursor solution could increase the yield of Cs{sub 0.33}WO{sub 3−x}F{sub x} powders and promote the formation of rod-like Cs{sub 0.33}WO{sub 3−x}F{sub x} particles. Moreover, the as-prepared Cs{sub 0.33}WO{sub 3−x}F{sub x} films from dispersion solution of Cs{sub 0.33}WO{sub 3−x}F{sub x} particles exhibited higher near-infrared (NIR) shielding ability and heat insulating properties than that of the undoped Cs{sub x}WO{sub 3} film. Particularly, the as-prepared Cs{sub 0.33}WO{sub 3−x}F{sub x} sample with F/W (molar ratio)=0.45 showed best NIR shielding ability and transparent heat insulating performance. - Highlights: • F-doped Cs{sub 0.33}WO{sub 3−x}F{sub x} powders were successfully synthesized by the hydrothermal method. • HF acid addition could promote the formation of rod-like Cs{sub 0.33}WO{sub 3−x}F{sub x} particles. • The near infrared shielding ability of Cs{sub 0.33}WO{sub 3} was further improved by F doping. • The Cs{sub 0.33}WO{sub 3−x}F{sub x} films exhibited higher transparent heat insulation than Cs{sub 0.33}WO{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Proposed mechanism to represent the suppression of dark current density by four orders with low energy light ion (H{sup −}) implantation in quaternary alloy-capped InAs/GaAs quantum dot infrared photodetectors

Graphical abstract: - Abstract: Here we propose a carrier transport mechanism for low energy H{sup −} ions implanted InAs/GaAs quantum dot infrared photodetectors supportive of the experimental results obtained. Dark current density suppression of up to four orders was observed in the implanted quantum dot infrared photodetectors, which further demonstrates that they are effectively operational. We concentrated on determining how defect-related material and structural changes attributed to implantation helped in dark current density reduction for InAs/GaAs quantum dot infrared photodetectors. This is the first study to report the electrical carrier transport mechanism of H{sup −} ion-implanted InAs/GaAs quantum dot infrared photodetectors.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Infrared identification of the Criegee intermediates syn - and anti -CH 3 CHOO, and their distinct conformation-dependent reactivity

The Criegee intermediates are carbonyl oxides that play critical roles in ozonolysis of alkenes in the atmosphere. So far, the mid-infrared spectrum of only the simplest Criegee intermediate CH 2 OO has been reported. Methyl substitution of CH 2 OO produces two conformers of CH 3 CHOO and consequently complicates the infrared spectrum. Here we report the transient infrared spectrum of syn - and anti -CH 3 CHOO, produced from CH 3 CHI + O 2 in a flow reactor, using a step-scan Fourier-transform spectrometer. Guided and supported by high-level full-dimensional quantum calculations, rotational contours of the four observed bands are simulated successfully and provide definitive identification of both conformers. Furthermore, anti -CH 3 CHOO shows a reactivity greater than syn -CH 3 CHOO towards NO/NO 2 ; at the later period of reaction, the spectrum can be simulated with only syn -CH 3 CHOO. Without NO/NO 2 , anti -CH 3 CHOO also decays much faster than syn -CH 3 CHOO. The direct infrared detection of syn - and anti -CH 3 CHOO should prove useful for field measurements and laboratory investigations of the Criegee mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Hybrid graphene metasurfaces for high-speed mid-infrared light modulation and single-pixel imaging

During the past decades, major advances have been made in both the generation and detection of infrared light; however, its efficient wavefront manipulation and information processing still encounter great challenges. Efficient and fast optoelectronic modulators and spatial light modulators are required for mid-infrared imaging, sensing, security screening, communication and navigation, to name a few. However, their development remains elusive, and prevailing methods reported so far have suffered from drawbacks that significantly limit their practical applications. In this study, by leveraging graphene and metasurfaces, we demonstrate a high-performance free-space mid-infrared modulator operating at gigahertz speeds, low gate voltage and room temperature. Here, we further pixelate the hybrid graphene metasurface to form a prototype spatial light modulator for high frame rate single-pixel imaging, suggesting orders of magnitude improvement over conventional liquid crystal or micromirror-based spatial light modulators. Finally, this work opens up the possibility of exploring wavefront engineering for infrared technologies for which fast temporal and spatial modulations are indispensable.

42 ENGINEERING↗

DOE OSTI2020

Two-photon excited deep-red and near-infrared emissive organic co-crystals

Abstract Two-photon excited near-infrared fluorescence materials have garnered considerable attention because of their superior optical penetration, higher spatial resolution, and lower optical scattering compared with other optical materials. Herein, a convenient and efficient supramolecular approach is used to synthesize a two-photon excited near-infrared emissive co-crystalline material. A naphthalenediimide-based triangular macrocycle and coronene form selectively two co-crystals. The triangle-shaped co-crystal emits deep-red fluorescence, while the quadrangle-shaped co-crystal displays deep-red and near-infrared emission centered on 668 nm, which represents a 162 nm red-shift compared with its precursors. Benefiting from intermolecular charge transfer interactions, the two co-crystals possess higher calculated two-photon absorption cross-sections than those of their individual constituents. Their two-photon absorption bands reach into the NIR-II region of the electromagnetic spectrum. The quadrangle-shaped co-crystal constitutes a unique material that exhibits two-photon absorption and near-infrared emission simultaneously. This co-crystallization strategy holds considerable promise for the future design and synthesis of more advanced optical materials.

36 MATERIALS SCIENCE↗

DOE OSTI2016

IR-Live: fabrication of a low-cost plastic microfluidic device for infrared spectromicroscopy of living cells

Water is a strong mid-infrared absorber, which has hindered the full exploitation of label-free and non-invasive infrared (IR) spectromicroscopy techniques for the study of living biological samples. To overcome this barrier, many researchers have built sophisticated fluidic chambers or microfluidic chips wherein the depth of the liquid medium in the sample compartment is limited to 10 μm or less. We report an innovative and simple way to fabricate plastic devices with infrared transparent view-ports enabling infrared spectromicroscopy of living biological samples; therefore the device is named “IR-Live”. Advantages of this approach include lower production costs, a minimal need to access a micro-fabrication facility, and unlimited mass or waste exchange for the living samples surrounding the view-port area. We demonstrate that the low-cost IR-Live in combination with microfluidic perfusion techniques enables long term (>60 h) cell culture, which broadens the capability of IR spectromicroscopy for studying living biological samples. To illustrate this, we first applied the device to study protein and lipid polarity in migrating REF52 fibroblasts by collecting 2-dimensional spectral chemical maps at a micrometer spatial resolution. Then, we demonstrated the suitability of our approach to study dynamic cellular events by collecting a time series of spectral maps of U937 monocytes during the early stage of cell attachment to a bio-compatible surface.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Enabling quantitative analysis of complex polymer blends by infrared nanospectroscopy and isotopic deuteration

Atomic-force microscopy coupled with infrared spectroscopy (AFM-IR) deciphers surface morphology of thin-film polymer blends and composites by simultaneously mapping physical topography and chemical composition. However, acquiring quantitative phase and composition information from multi-component blends can be challenging using AFM-IR due to the possible overlapping infrared absorption bands between different species. Isotope labeling one of the blend components introduces a new type of bond (carbon-deuterium vibration) that can be targeted using AFM-IR and responds at wavelengths sufficiently shifted toward unoccupied regions (around 2200 cm –1 ). In this project, AFM-IR was used to probe the surface morphology and chemical composition of three polymer blends containing deuterated polystyrene; each blend is expected to exhibit various degrees of miscibility. AFM-IR results successfully demonstrated that deuterium labeling prevents infrared spectral overlap and enables the visualization of blend phases that could not normally be distinguished by other scanning probe techniques. The nanoscale domain composition was resolved by fast infrared spectrum analysis. Overall, we presented isotope labeling as a robust approach for circumventing obstacles preventing the quantitative analysis of multiphase systems by AFM-IR.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Planck intermediate results: XVII. Emission of dust in the diffuse interstellar medium from the far-infrared to microwave frequencies

The dust-Hi correlation is used to characterize the emission properties of dust in the diffuse interstellar medium (ISM) from far infrared wavelengths to microwave frequencies. The field of this encompasses the part of the southern sky best suited to study the cosmic infrared and microwave backgrounds. We cross-correlate sky maps from Planck , the Wilkinson Microwave Anisotropy Probe ( WMAP ), and the diffuse infrared background experiment ( DIRBE ), at 17 frequencies from 23 to 3000 GHz, with the Parkes survey of the 21 cm line emission of neutral atomic hydrogen, over a contiguous area of 7500 deg 2 centred on the southern Galactic pole. We present a general methodology to study the dust-Hi correlation over the sky, including simulations to quantify uncertainties. Our analysis yields four specific results. (1) We map the temperature, submillimetre emissivity, and opacity of the dust per H-atom. The dust temperature is observed to be anti-correlated with the dust emissivity and opacity. We interpret this result as evidence of dust evolution within the diffuse ISM. The mean dust opacity is measured to be (7.1 ± 0.6) × 10 -27 cm 2 H -1 × (v/353 GHz) 1.53 ± 0.03 for 100 ≤ v ≤ 353 GHz. This is a reference value to estimate hydrogen column densities from dust emission at submillimetre and millimetre wavelengths. (2) We map the spectral index β mm of dust emission at millimetre wavelengths (defined here as v ≤ 353 GHz), and find it to be remarkably constant at β mm = 1.51 ± 0.13. We compare it with the far infrared spectral index β FIR derived from greybody fits at higher frequencies, and find a systematic difference, β mm -β FIR = -0.15, which suggests that the dust spectral energy distribution (SED) flattens at v ≤ 353 GHz. (3) We present spectral fits of the microwave emission correlated with Hi from 23 to 353 GHz, which separate dust and anomalous microwave emission (AME). We show that the flattening of the dust SED can be accounted for with an additional component with a blackbody spectrum. This additional component, which accounts for (26 ± 6)% of the dust emission at 100GHz, could represent magnetic dipole emission. Alternatively, it could account for an increasing contribution of carbon dust, or a flattening of the emissivity of amorphous silicates, at millimetre wavelengths. These interpretations make different predictions for the dust polarization SED. (4) We analyse the residuals of the dust-Hi correlation. We identify a Galactic contribution to these residuals, which we model with variations of the dust emissivity on angular scales smaller than that of our correlation analysis. This model of the residuals is used to quantify uncertainties of the CIB power spectrum in a companion Planck paper.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Mid-infrared response of reduced graphene oxide and its high-temperature coefficient of resistance

Much effort has been made to study the formation mechanisms of photocurrents in graphene and reduced graphene oxide films under visible and near-infrared light irradiation. A built-in field and photo-thermal electrons have been applied to explain the experiments. However, much less attention has been paid to clarifying the mid-infrared response of reduced graphene oxide films at room temperature. Thus, mid-infrared photoresponse and annealing temperature-dependent resistance experiments were carried out on reduced graphene oxide films. A maximum photocurrent of 75 μA was observed at room temperature, which was dominated by the bolometer effect, where the resistance of the films decreased as the temperature increased after they had absorbed light. The electrons localized in the defect states and the residual oxygen groups were thermally excited into the conduction band, forming a photocurrent. In addition, a temperature increase of 2 °C for the films after light irradiation for 2 minutes was observed using absorption power calculations. This work details a way to use reduced graphene oxide films that contain appropriate defects and residual oxygen groups as bolometer-sensitive materials in the mid-infrared range.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Laser-induced breakdown spectroscopy using mid-infrared femtosecond pulses

Here, we report on a laser-induced breakdown spectroscopy (LIBS) experiment driven by mid-infrared (2.05-μm) fs pulses, in which time-resolved emission spectra of copper were studied. Ab-initio modeling is consistent with the results of new fs measurements at 2.05 μm and traditional 800-nm fs-LIBS. Ablation by mid-infrared fs pulses results in a plasma with a lower plasma density and temperature compared to fs-LIBS performed at shorter laser wavelength. LIBS driven by mid-infrared fs pulses results in a signal-to-background ratio ~50% greater and a signal-to-noise ratio ~40% lower than fs-LIBS at near-infrared laser wavelength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Reduced graphene oxide mid-infrared photodetector at 300 K

We report on uncooled mid-infrared photovoltaic responses at 300 K arising in heterojunctions of reduced graphene oxide with p-Si. Two major photoresponse spectral peaks are observed, one in the near infrared starting at 1.1 μm corresponding to electron-hole pair generation in the Si substrate, and another at wavelengths below 2.5 μm, arising from properties of the reduced graphene oxide-Si heterojunction. Our analysis of the current-voltage characteristics at various temperatures suggests that the two materials form a type-II (broken-gap) heterojunction, with a characteristic transition between direct tunneling to field emission, to over-the-barrier excitation with increasing reverse voltage. Illumination was found to affect the onset of the transition between direct tunneling and field-emission, suggesting that the mid infrared response results from the excitation of minority carriers (electrons) from the Si and their collection in the reduced graphene oxide contact. The photoresponse near 1.1 μm showed a time constant at least five times faster than the one at 2.5 μm, which points to surface defects as well as high series resistance and capacitance as potentially limiting factors in this mode of operation. With proper device engineering considerations, these devices could be promising as a graphene-based platform for infrared sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Silicon based near infrared photodetector using self-assembled organic crystalline nano-pillars

We propose a silicon (Si) based near-infrared photodetector using self-assembled organic crystalline nano-pillars, which were formed on an n-type Si substrate and were covered with an Au thin-film. These structures act as antennas for near-infrared light, resulting in an enhancement of the light absorption on the Au film. Because the Schottky junction is formed between the Au/n-type Si, the electron excited by the absorbed light can be detected as photocurrent. The optical measurement revealed that the nano-pillar structures enhanced the responsivity for the near-infrared light by 89 (14.5 mA/W) and 16 (0.433 mA/W) times compared with those of the photodetector without nano-pillars at the wavelengths of 1.2 and 1.3 μm, respectively. Moreover, no polarization dependency of the responsivity was observed, and the acceptable incident angle ranged from 0° to 30°. These broad responses were likely to be due to the organic nano-pillar structures' having variation in their orientation, which is advantageous for near-infrared detector uses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Interference-enhanced infrared-to-visible upconversion in solid-state thin films sensitized by colloidal nanocrystals

Infrared-to-visible photon upconversion has potential applications in photovoltaics, sensing, and bioimaging. In this paper, we demonstrate a solid-state thin-film device that utilizes sensitized triplet-triplet exciton annihilation, converting infrared photons absorbed by colloidal lead sulfide nanocrystals (NCs) into visible photons emitted from a luminescent dopant in rubrene at low incident light intensities. A typical bilayer device consisting of a monolayer of NCs and a doped film of rubrene is limited by low infrared absorption in the thin NC film. Here, we augment the bilayer with an optical spacer layer and a silver-film back reflector, resulting in interference effects that enhance the optical field and thus the absorption in the NC film. The interference-enhanced device shows an order-of-magnitude increase in the upconverted emission at the wavelength of λ = 610 nm when excited at λ = 980 nm. Finally, at incident light intensities above 1.1 W/cm 2 , the device attains maximum efficiency, converting (1.6 ± 0.2)% of absorbed infrared photons into higher-energy singlet excitons in rubrene.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Semi-empirical quantum optics for mid-infrared molecular nanophotonics

Nanoscale infrared (IR) resonators with sub-diffraction limited mode volumes and open geometries have emerged as new platforms for implementing cavity quantum electrodynamics at room temperature. The use of IR nanoantennas and tip nanoprobes to study strong light–matter coupling of molecular vibrations with the vacuum field can be exploited for IR quantum control with nanometer spatial and femtosecond temporal resolution. In order to advance the development of molecule-based quantum nanophotonics in the mid-IR, we propose a generally applicable semi-empirical methodology based on quantum optics to describe light–matter interaction in systems driven by mid-IR femtosecond laser pulses. The theory is shown to reproduce recent experiments on the acceleration of the vibrational relaxation rate in infrared nanostructures. It also provides physical insights on the implementation of coherent phase rotations of the near-field using broadband nanotips. We then apply the quantum framework to develop general tip-design rules for the experimental manipulation of vibrational strong coupling and Fano interference effects in open infrared resonators. We finally propose the possibility of transferring the natural anharmonicity of molecular vibrational levels to the resonator near-field in the weak coupling regime to implement intensity-dependent phase shifts of the coupled system response with strong pulses and develop a vibrational chirping model to understand the effect. The semi-empirical quantum theory is equivalent to first-principles techniques based on Maxwell’s equations, but its lower computational cost suggests its use as a rapid design tool for the development of strongly coupled infrared nanophotonic hardware for applications ranging from quantum control of materials to quantum information processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗