Band System Research Articles

Spectral and electric diagnostics of low-current arc plasmas in CO2 with N2 and H2O admixtures

Plasma diagnostics is a key tool to support the further development of plasma-induced chemical conversion of greenhouse gases (such as CO2) into high-value chemicals. For this reason, spectroscopic and electric measurements of low current (below 1.7 A), stationary arc plasmas in CO2 at atmospheric pressure with addition of N2 or H2O are reported. High-speed photography, imaging emission spectroscopy and time-resolved electrical measurements are used to obtain time-space resolved gas temperatures as well as the electric-field current characteristics of the discharge. It is found that the lowest average electric field in a CO2 arc plasma at atmospheric pressure is ∼20 kV mm−1 at a current between 0.8 and 1 A. If the current decreases below this level, the arc remains in vibrational–translational (VT) equilibrium by increasing the electric field. However, VT equilibrium conditions can be only maintained until a threshold minimum current of 0.33 ± 0.05 A, at which the arc transitions into a non-equilibrium condition with further increasing electric fields (reaching 68 ± 15 V mm−1 at 0.03 A). The addition of N2 or H2O did not influence the electrical characteristics of the CO2 arc within to the tested mixtures. However, there is only a significant decrease in the electric field of the formed transition arcs and the threshold minimum current in the presence of N2. The spectra of the low-current CO2 arc is found to be dominated by emission from the C2 Swan band system and the O I 777 nm triplet peak. However, the CN band dominates the spectra even when small amounts (0.5 wt%) of N2 is present in the plasma. The gas temperature at the axis of the CO2 arc plasma decreased slightly with decreasing current, from an estimated 7000 K at 1 A down to 6300 K at 0.4 A. The thermal radius of the arc is estimated to be larger than 1.2 mm, more than two times larger than the optical radius obtained from the emitted radiation. The addition of N2 and H2O (up to 7 and 9 wt% respectively) lead to only to a 500 K decrease in the axial arc temperature.

Isolated flat bands in 2D lattices based on a novel path-exchange symmetry

The increased ability to engineer two-dimensional (2D) systems, either using materials, photonic lattices, or cold atoms, has led to the search for 2D structures with interesting properties. One such property is the presence of flat bands. Typically, the presence of these requires long-ranged hoppings, fine-tuning of nearest neighbor hoppings, or breaking time-reversal symmetry by using a staggered flux distribution in the unit cell. We provide a prescription based on carrying out projections from a parent system to generate different flat band systems. We identify the conditions for maintaining the flatness and identify a path-exchange symmetry in such systems that cause the flat band to be degenerate with the other dispersive ones. Breaking this symmetry leads to lifting the degeneracy while still preserving the flatness of the band. This technique does not require changing the topology nor breaking time-reversal symmetry as was suggested earlier in the literature. The prescription also eliminates the need for any fine-tuning. Moreover, it is shown that the subsequent projected systems inherit the precise fine-tuning conditions that were discussed in the literature for similar systems, in order to have and isolate a flat band. As examples, we demonstrate the use of our prescription to arrive at the flat band conditions for popular systems like the Kagomé, the Lieb, and the Dice lattices. Finally, we are also able to show that a flat band exists in a recently proposed chiral spin-liquid state of the Kagomé lattice only if it is associated with a gauge field that produces a flux modulation of the Chern-Simons type.

Transmission and reflection bidirectional terahertz coding metasurface based on thermally switchable materials

Metasurface, with its powerful and flexible terahertz(THz) wave manipulation capability, has become a key component of beamforming and imaging systems in the THz band. However, its practical application is limited by fixed properties and propagation mode on a single metasurface. In this paper, we propose a coding metasurface with tunable characteristics and bidirectional working modes. The complete 2π phase compensation can be realized by rotating the InSb unit according to the Pancharatnam-Berry phase concept, and eight meta-atoms are selected to regulate the wavefront of terahertz waves using phase compensation. By increasing the temperature of the InSb from 290 K to 370 K, the working frequency permits wideband coverage from 1.7 to 4.5 THz. As the temperature reaches 341.15 K, which is required for vanadium dioxide's(VO2) phase transition, the metasurface's propagation direction mode will switch from transmission to reflection. The proposed metasurface can perform beam deflecting, splitting, and focusing functions when VO2 is in a dielectric state. Meanwhile, beam deflecting, splitting, and radar scattering surface (RCS) reduction can also be achieved when VO2 is in a metallic state. Furthermore, a near-field image of the letter P is presented as verification. Numerous potential applications for the reconfigurable metasurfaces include polarization beam splitters, imaging, and terahertz switching.

Transition probabilities of the AgS(A[formula omitted][formula omitted] X[formula omitted]) emission including spin–orbit coupling effects and evidence of a novel band system

A systematic spectroscopic work using multireference configuration interaction (MRCI) and coupled cluster (CC) calculations was performed in conjunction with large basis sets for AgS. As a result, a more accurate dissociation energy of 17,542 cm−1 is predicted for the X2Π using an analytical potential energy curve, including spin–orbit effects. The calculated energy separation Te(A)∼ 10,500 cm−1 suggests that the AgS(A2Σ+→ X2Π) band system is in near-IR. An unobserved 32Π→ X2Π band system is predicted with Einstein coefficient for spontaneous emission of the orders of 104–105 s−1 in the UV region (342 nm). The radiative lifetimes for the A2Σ+ are of the order of ∼100 microseconds. The AgS(A) state presents a possible predissociation channel caused by interactions with the quartet 14Σ− and 14Π states. The spin–orbit coupling effects are considered in this work by utilizing the Breit–Pauli operator. The present findings are good references for future spectroscopic research concerning heavy-element sulfides.

High resolution infrared spectra of neopentane: Rovibrational analysis of bands at 8.3–6.4 μm

High resolution (0.0014 cm−1) infrared spectra of neopentane (2,2-dimethylpropane) have been recorded at 203 K at the Canadian Light Source. Spectra were recorded in the infrared (8.3–6.4 μm) with 8 m of optical path. Neopentane is a spherical top molecule with Td (tetrahedral) symmetry. A low temperature is favorable for a detailed rotational analysis of its fundamental bands.This study focuses on the analysis of 3 band systems of neopentane. The first system is a dyad consisting of a ν15 fundamental band and a ν7 + ν19 combination band located at 1472.5 and 1489 cm−1, respectively. The second system is a ν16 fundamental band located at 1369.4 cm−1 with uncertain band origin. The third band system is a dyad of a ν17 fundamental and a ν8 + ν18 combination band. Only the ν17 fundamental band was analyzed in this last system due to the weaker intensity of the combination band. For all spectral simulations and calculations an ‘XTDS’ program based on tensorial formalism by the Dijon molecular spectroscopy group was used. A subprogram ‘SPVIEW’, paired with XTDS, was used for spectral assignment.

Frizzled2 receives WntA signaling during butterfly wing pattern formation.

Butterfly color patterns provide visible and biodiverse phenotypic readouts of the patterning processes. Although the secreted ligand WntA has been shown to instruct the color pattern formation in butterflies, its mode of reception remains elusive. Butterfly genomes encode four homologs of the Frizzled-family of Wnt receptors. Here, we show that CRISPR mosaic knockouts of frizzled2 (fz2) phenocopy the color pattern effects of WntA loss of function in multiple nymphalids. Whereas WntA mosaic clones result in intermediate patterns of reduced size, fz2 clones are cell-autonomous, consistent with a morphogen function. Shifts in expression of WntA and fz2 in WntA crispant pupae show that they are under positive and negative feedback, respectively. Fz1 is required for Wnt-independent planar cell polarity in the wing epithelium. Fz3 and Fz4 show phenotypes consistent with Wnt competitive-antagonist functions in vein formation (Fz3 and Fz4), wing margin specification (Fz3), and color patterning in the Discalis and Marginal Band Systems (Fz4). Overall, these data show that the WntA/Frizzled2 morphogen-receptor pair forms a signaling axis that instructs butterfly color patterning and shed light on the functional diversity of insect Frizzled receptors.

Synthetic molecular spectra modeling for determining rotational, vibrational, and excitation temperatures of low-pressure nitrogen plasma

Nitrogen plasma is highly sought after in industries due to its unique properties, including high chemical reactivity and internal energy, which enhance process efficiency. However, a detailed understanding of thermal characteristics of nitrogen plasma is required to control nitrogen plasma properties and produce desirable reactants. Therefore, in this work, we proposed an advanced numerical simulation by clustering synthetic spectra of three molecular band systems (i.e., N2 B-A, N2 C-B, and N2+ B-X). Through this method, rotational, vibrational, and excitation temperatures of excited species in inductively coupled nitrogen plasmas (5 mTorr, 50 W − 900 W) were determined. Results revealed that rotational and vibrational temperatures increased at various input power with an inflection point at around 250 W. However, the excitation temperature decreased with input power below 250 W but increased with input power above 250 W. We also found that energy states were not in thermal equilibrium and that vibrational temperature and excitation temperature were reciprocally related. Finally, correlations between dissociation, ionization, and excitation temperature were discussed by examining N I and N2+ intensities as a function of input power.

Continuous variable quantum key distribution based on simultaneous quantum and classical communication in the terahertz band.

Continuous variable quantum key distribution (CVQKD) based on a simultaneous quantum and classical communication (SQCC) protocol can use a single coherent communication system for multiple purposes. In this paper, we propose an inter-satellite SQCC-CVQKD scheme in the terahertz (THz) band. This scheme performs classical modulation at the sending end, followed by quantum Gaussian modulation operations. At the receiving end, an amplifier is used to amplify and demultiplex the received signal, and, finally, a homodyne detector or heterodyne detector is selected for decoding. We have demonstrated the security of the SQCC-CVQKD system in the THz band, and a performance analysis of the scheme is given in the finite-size regime. The simulation results show that this scheme has a higher secret key rate and stronger anti-interference ability in practice. This work provides an effective way to construct wireless quantum communication networks.

Anisotropic Permittivity Measurement Using a Strip Air Line System

A strip air line system for measuring anisotropic materials in the band from 0.3 to 1 GHz is proposed. The multireflect-thru method is used to calibrate the measurement system in the whole band with a single strip air line. In the strip air line, the TEM mode propagates along the strip in the material under test (MUT). Therefore, it is possible to accurately measure the permittivity of anisotropic materials with the strip air line. Since a small portion of the electric field is parallel to the ground plane around two edges of the strip, the measured property is not purely along one direction. To obtain higher accuracy, with the help of linear combination, the properties along two directions are disentangled by two measurements. The validity and the accuracy of the system for measuring anisotropy are verified by simulation results and the measurement results of polytetrafluoroethylene (PTFE) and two anisotropic materials.

A new algorithm for investigating strongly correlated systems using Hubbard model

In this work, a new algorithm introduces for calculating the average Green function of an interacting system that obeys the Hubbard model. This algorithm is applied to investigate the effects of onsite repulsion on the band structure of a square lattice in both the single-site approximations such as dynamical mean field theory (DMFT) and multi-site approximations such as effective medium supercell approximation (EMSCA). The advantages of our algorithm in comparison to the Hirsch-Fye algorithm and also the Blankenbecler, Scalapino, and Sugar (BSS) algorithm are the elimination of instabilities resulting from the Metropolis algorithm in the accepting and rejecting configurations, stability at low temperatures, the elimination of systematic errors resulting from the update of the Green's function in the quantum Monte Carlo process, and considering different probabilities for each possible configuration. Finally, by using our algorithm, it is possible to calculate the interacting three-dimensional system's band structure and the density of states that obey the Hubbard model. We have applied our algorithm to an interactive two-dimensional square lattice. As a result, phase transition boundaries can be easily recognized through calculated bands for different repulsions. Our results show that critical Coulomb repulsion values for Mott transition are uc = 9.05t and uc = 2.4t for DMFT and BEMSCA respectively. This means that DMFT significantly overestimates band splitting due to electrons' Coulomb repulsion. We found by starting at low repulsions and then increasing electrons' Coulomb repulsion, a partially flatted valence band around the center of the first Brillouin zone appears, but disappears at high repulsions.

Theoretical study of low-lying electronic states of rhenium monoxide (ReO)

In this paper we report a theoretical investigation of the low-lying electronic states of the ReO molecule by using the recently developed static–dynamic–static second-order perturbation theory. The results confirm the previous experimental finding that the ground state of ReO is 2Δ or 2Δ5/2 after considering spin–orbit coupling. With the aid of the theoretical spectroscopic constants and transition dipole moments, fourteen band systems in emission spectra of ReO reported nearly 40 years ago have finally been assigned to the calculated Ω states. Our results should be of value for further experimental and theoretical studies of the spectra of ReO.

NUMERICAL MODELLING OF ELECTROMAGNETIC WAVE SCATTERING ON GRATINGS WITH ONE-DIMENSIONAL QUASI-FRACTAL PERIOD STRUCTURE

Numerical modelling of the properties of E-polarised and H-polarised waves scattered on periodic screened quasi-fractal gratings is carried out. The location of the band system at each period is determined by the principle of constructing a generalized symmetric Cantor set at a certain step of the algorithm. A mathematical model of the problems based on systems of boundary singular integral equations of the first kind was used in the study. These systems of equations were obtained using the method of parametric representations of singular and hypersingular integral operators. The systems of singular integral equations were solved numerically using the computational schemes of the method of discrete singularities. The solutions of these equations are used to obtain the main characteristics of the electric and magnetic fields. This experiment proved the possibility of using the MDS computational scheme to analyse systems containing 8 – 16 bands at different distances from each other. Graphs of the dependence of harmonic amplitudes on the wavenumber, point plots of absolute values of all non-zero harmonics at resonant wavenumber values, and maps of electric and magnetic field components in the region above the grating were obtained. It is confirmed that the overall field structure in the case of normal incidence is significantly influenced by all harmonics with absolute numbers from 0 to 50. The harmonics had a large number of resonances that were observed at different values of the wavenumber. This led to a complex structure of the isolines of absolute values of the scattered electric and magnetic field amplitudes in the region above the structure, and a significant difference in amplitude values with small changes in coordinates. In the future, it is planned to carry out computer simulations for imperfectly conducting structures and compare the results with the numerical results for the ideal case considered in this paper. The proposed structure may be of interest for the design of multimode broadband antennas.

S-type Stars: Line List for the A2Π–X2Σ+ Band System of LaO

LaO bands are found in the spectra of cool S-type stars. The bands of the A2Π–X2Σ+ transition with and v″ ≤ 4 are rotationally analyzed, providing spectroscopic constants for the A2Π state. Line strengths are calculated using an ab initio transition dipole moment function, and radiative lifetimes for the A2Π state have also been computed. A line list for the A2Π–X2Σ+ transition of LaO is provided and can be used to determine LaO stellar abundances.

Noncontractible loop states from a partially flat band in a photonic borophene lattice

Abstract Flat band systems are commonly associated with compact localized states (CLSs) that arise from the macroscopic degeneracy of eigenstates at the flat band energy. However, in the case of singular flat bands, conventional localized flat band states are incomplete, leading to the existence of noncontractible loop states (NLSs) with nontrivial real-space topology. In this study, we experimentally and analytically demonstrate the existence of NLSs in a 2D photonic borophene lattice without a CLS counterpart, owing to a band that is flat only along high-symmetry lines and dispersive along others. Our findings challenge the conventional notion that NLSs are necessarily linked to robust boundary modes due to a bulk-boundary correspondence. Protected by the band flatness that originates from band touching, NLSs play a significant role in investigating the fundamental physics of flat band systems.

Novel Low Profile Beam Switchable 5G Sub-6 GHz E-GSM Antenna for Vehicular Communication

ABSTRACT A novel low-profile beam-switchable antenna operating in the Extended Global System for Mobile Communications band of 5G sub-6 GHz for vehicular communication is proposed in this paper. The proposed work has a centre patch that connects with four parasitic radiators and encompasses a tapered patch to R1, R2, R3 and R4 which are slotted loop rectangular patches. The main lobe switching is achieved for Extended GSM by switching between the states of PIN diode circuits, which affects the overall performance of the antenna. With the dimensions of 0.346 λe × 0.346 λe, the presented work exhibits a very-low-profile antenna, having an impedance bandwidth of 14.7% and a peak gain of 1.27 dBi. The proposed beam-switchable antenna incorporates four similar radiators facing different directions affixed to the central square patch director. Each PIN diode is incited eventually to obtain the same resonant frequency at each radiator. The pattern of the proposed antenna can be switched using different states of PIN diodes in the angles of 81°, 171°, 261° and 351°. The prototype is fabricated, and the measured results are in agreement with the simulated results. For the validation of the practicability of the proposed antenna, the far-field analysis is done on the vehicle.

Design and development of half impulse radiating antenna based ultra wide band system

Abstract An ultra wide band system utilizing Half Impulse Radiating Antenna topology has been designed and developed. A compact Marx generator and a solid dielectric pulse forming line fed the antenna. Based on pulse parameters, frequency range of 250 MHz–1250 MHz is chosen for antenna design. Analytical equations and CST Microwave Studio are used for design and analysis of the Antenna and ultra wide band system. Maximum electric field of 11 kV/m at 20 m distance from source has been measured using half-transverse electromagnetic horn type sensor. This paper discusses both time domain and frequency domain results for the designed UWB system. A good agreement between the simulated and the measured power pattern has been demonstrated in this paper.

Substituent and solvent effects on UV‐visible absorption spectra of chalcones derivatives: Experimental and computational studies

The electronic spectra of the title compounds were measured in ethanol and cyclohexane. Three band systems are distinguished in the spectra of which the first and second band systems are attributed to local excitation of PhCH and PhCO rings. The third absorption band is assigned to a charge transfer (CT) band and is associated with the CO−CH=CH moiety. The solvent plays an important role in the absorption spectra and causes the CT band to consist of two electronic transitions. The effect of substituents on the phenyl rings on the charge transfer band of chalcone derivatives was also established in the two solvents.The converged gas-phase geometries of the studied chalcones was optimized using the DFT PBE0 functional with the basis set 6-311++G**. DFT calculations has been performed for an ethanol solution (using TD-PBE0/6-311++G**) level to understand electronic transitions on terms of energies and oscillator strengths to study the substituent effect on the electronic transitions of the chalcone derivatives. To consider the solvation effect of ethanol on the absorptions, the integral equation formalism variant of the polarizable continuum model (IEFPCM) was used. The calculated energies were in good agreement with experiment results.The molecular modelling technique was followed to monitor the effect of substitutions on the HOMO/LUMO energy and total dipole moment. Transitions between natural transition orbitals are also described as part of this study.

Coupled topological flat and wide bands: Quasiparticle formation and destruction.

Flat bands amplify correlation effects and are of extensive current interest. They provide a platform to explore both topology in correlated settings and correlation physics enriched by topology. Recent experiments in correlated kagome metals have found evidence for strange-metal behavior. A major theoretical challenge is to study the effect of local Coulomb repulsion when the band topology obstructs a real-space description. In a variant to the kagome lattice, we identify an orbital-selective Mott transition in any system of coupled topological flat and wide bands. This was made possible by the construction of exponentially localized and Kramers-doublet Wannier functions, which, in turn, leads to an effective Kondo-lattice description. Our findings show how quasiparticles are formed in such coupled topological flat-wide band systems and, equally important, how they are destroyed. Our work provides a conceptual framework for the understanding of the existing and emerging strange-metal properties in kagome metals and beyond.

Efficient Blue-Green Light Phased Array Based on High-Contrast Grating as a Demultiplexer

Wavelength division multiplexing (WDM) technology has been proven to effectively increase the capacity of optical communications in the infrared light band. However, to date, the WDM systems in the visible band only support limited quantity of wavelength channels, with coarse channel spacing of over 20 nm. This is because there are no available multi/demultiplexers (MUX/DeMUX) with fine wavelength spacing for visible light. In this work, we use a high-contrast grating (HCG) structure to effectively separate the blue-green wavelengths with fine spacing. An efficient blue-green light phased array based on HCG aperture is demonstrated to work as the DeMUX in a WDM system. The HCG aperture presents more efficient main-lobe radiation than typical one-dimensional waveguide surface grating arrays with fishbone antennas. The measured main-lobe loss of optical phased array (OPA) with HCG is over 15 dB lower than that of OPA with fishbone antennas, because HCG provides maximum scatterings for blue-green light. A wavelength spacing as small as 4 nm is validated in a blue-green WDM system, which is the finest channel spacing for WDM in visible band to the best of our knowledge.

Charge transfer transitions of the O2+-Ar and O2+-N2 complexes.

Electronic transitions are observed for the O2+-Ar and O2+-N2 complexes over the 225-350nm range. The transitions are not associated with recognized electronic band systems of the respective atomic and diatomic constituents (Ar+, Ar, O2+, O2, N2+, and N2) but rather are due to charge transfer transitions. Onsets of the O2+-Ar and O2+-N2 band systems occur at 3.68 and 3.62eV, respectively, corresponding to the difference in the ionization potentials of Ar and O2 (3.69eV), and N2 and of O2 (3.51eV), suggesting the band systems arise from intramolecular charge transfer transitions to states correlating with O2(X3Σg-) + Ar+ (2Pu) and O2(X3Σg-) + N2+(X2Σg+) limits, respectively. The dominant vibronic progressions have ωe values of 1565 cm-1 for O2+-Ar and 1532 cm-1 for O2+-N2, reasonably close to the value for the neutral O2 molecule in its X3Σg- state (1580 cm-1). Higher energy band systems for O2+-Ar and O2+-N2 are assigned to transitions to states correlating with the O2 (a1Δg) + Ar+ (2Pu) and O2 (a1Δg) + N2+(X2Σg+) limits, respectively.