Coupling Constants Research Articles

Unveiling the potential of TPA-based molecules to tune the optoelectronic properties and enhance the efficiency of dye-sensitized solar cells.

The world's energy and environmental requirements are changing due to rapid population growth and industrial growth, and solar cells can be used to meet these demands. Dye-sensitized solar cells (DSSCs) are solar cells in which energy conversion occurs via a process similar to photosynthesis in plants. DSSC development is still in its infancy. DSSCs can operate under cloudy conditions and indirect sunlight and have attracted considerable attention due to their low cost and high efficiency. We designed two metal-free TPA-based dyes (Dye2 and Dye3) based on the reference dye Mg207 (Dye1) by increasing the donor strength of the molecule, as such dyes have shown enhanced efficiency in DSSCs. Moreover, the triphenylamine (TPA) moiety has been demonstrated to be a good donor that prevents charge recombination. Intramolecular charge transfer (ICT) from the donor to acceptor moiety was found in the sensitizers, and electrons were promoted to the conduction band (CB) of the TiO2 semiconductor. The negative binding energy of the dye@TiO2 clusters indicated that dye adsorption on the semiconductor surface was stable. The double donor increased the electron injection and electronic coupling constants in Dye2 and Dye3, indicating that these newly designed dyes have superior charge injection capacity. Accordingly, the efficiencies of DSSCs with Dye2 and Dye3 were 9.77% and 9.62%, respectively, and substitution with the TPA unit at the -R1 and -R2 positions in Dye1 resulted in better power conversion compared to the parent compound (9.09%). Increased donor strength improved photovoltaic performance by increasing current density and light-harvesting efficiency. This is a good molecular design approach for preparing targeted donor- -acceptor (D- -A) organic dyes with high DSSC efficiency. To predict the charge transport and optoelectronic characteristics of the TPA dyes, quantum chemical calculations were carried out using Gaussian16. The ground-state (S0) optimized geometries of the sensitizers were computed by utilizing DFT at the B3LYP/6-31G** level. The absorption spectra ( max) were computed by employing TD-DFT with various functionals (B3LYP, PBE1PBE, CAM-B3LYP, and BHandHLYP) in the gas and solvent (DCM) phases. Among the studied functionals, BHandHLYP was found to be best at successfully reproducing the experimental data. Thus, the absorption spectra of the newly designed dyes and dye@TiO2 were calculated at the BHandHLYP/6-31G** level. The dye@TiO2 cluster optimizations were carried out at the B3LYP/6-31G**(LANL2DZ) level.

Fermi Resonance of the N-D Stretching Mode Probing the Local Hydrogen-Bonding Environment in Proteins.

Local H-bonding interactions are crucial for proteins to undergo various structural transitions and form different secondary structures. However, identifying slight distinctions in the local H-bonding of proteins is rather challenging. Here, we demonstrate that the Fermi resonance of the N-D stretching mode can provide an effective probe for the localized H-bonding environment of proteins both at the surface/interface and in the bulk. Using sum frequency generation vibrational spectroscopy and infrared spectroscopy, we established a correlation between the Fermi resonance of the N-D mode and protein secondary structures. The H-bond of N-D···C═O splits the N-D modes into two peaks (∼2410 and ∼2470 cm-1). The relative strength ratio (R) between the ∼2410 cm-1 peak and the ∼2470 cm-1 peak is very sensitive to H-bond strength and protein secondary structure. R is less than 1 for α-helical peptides, while R is greater than 1 for β-sheet peptides. For R < 2.5, both α-helical/loop structures and β-sheet structures exhibit almost identical Fermi coupling strengths (W = 28 cm-1). For R > 2.5, W decreases from 28 to 14 cm-1 and depends on the aggregation degree of the β-sheet oligomers or fibrils. The initial local H-bonding status impacts the misfolding dynamics of proteins at the lipid bilayer interface.

Entropy-assisted low-electrical-conductivity pyrochlore for capacitive energy storage

Capacitors with high energy storage performances are highly desired for the miniaturization, lightweight, and integration of high-end pulse systems. However, the trade-off between dielectric constant and breakdown strength restricts further performance optimization. To improve energy storage properties, a new tactic with rising attention, the high-entropy concept, has been demonstrated to suppress leakage current and enlarge the breakdown strength. However, the mechanisms connecting the insulation properties and entropy are still unclear. Herein, we successfully fabricated a series of entropy-modulated Cd2Nb2O7-based pyrochlore ceramics via the doping of multiple elements, and high-entropy pure pyrochlore was obtained due to the entropy-stabilization effect. Our results revealed that the insulation properties are distinctly enhanced via the enlarged carrier transport barriers and reduced carrier concentration, which should be attributed to entropy-induced large lattice distortion, grain-refining, and fewer defects. The optimized insulation properties significantly enhance breakdown strength from 148 kV cm−1 to 457 kV cm−1. A high energy density of 2.29 J cm−3 with a high energy efficiency of 88% is thus achieved in the high-entropy ceramic, which is 150% higher than the pristine material. This work indicates the effectiveness of high-entropy design in the improvement of energy storage performance, which could be applied to other insulation-related functionalities.

Electrically Injected Metamaterial Grating DFB Laser Exploiting an Ultra‐High Q Electromagnetic Induced Transparency Resonance for Spectral Selection

AbstractThe study shows that, in waveguide (WG) configuration, the coupling of a 2D plasmonic metamaterial grating (MMG) having a conventional Bragg period along the guide but a distinct period along the transverse axis can lead to Electromagnetically‐Induced‐Transparency (EIT) behavior. This epitomizes that metamaterials, as functional photonic building blocks, can lead to low losses in many standard devices if properly designed. The study reported the observation in passive WGs of a marked Fano‐type EIT resonance with record high‐quality factor: Q = 5000 and contrast &gt;20 dB. Unlike any standard metal grating, MMG‐assisted waveguides exhibit strong grating coupling strength and low‐loss properties simultaneously. This concept is further applied to demonstrate single‐frequency‐emission electrically‐injected Distributed Feedback (DFB) lasers in the near‐infrared telecom domain. The key point is that laser emission occurs at the peak of EIT, i.e., the maximum in transmission. It therefore addresses one of the main critical issues of DFB lasers related to the single frequency yield. The laser performances are state‐of‐the‐art (Ith &lt; 20 mA, Pmax &gt; 20 mW at I = 200 mA, SMSR &gt; 50 dB, optical feedback tolerance &gt;−21 dB compliant with IEEE 802.3 standard). The presented approach, compatible with existing industrial technologies, is promising for real‐life telecom applications.

Electric Dipole Coupling of a Bilayer Graphene Quantum Dot to a High-Impedance Microwave Resonator.

We implement circuit quantum electrodynamics (cQED) with quantum dots in bilayer graphene, a maturing material platform that can host long-lived spin and valley states. Our device combines a high-impedance (Zr ≈ 1 kΩ) superconducting microwave resonator with a double quantum dot electrostatically defined in a graphene-based van der Waals heterostructure. Electric dipole coupling between the subsystems allows the resonator to sense the electric susceptibility of the double quantum dot from which we reconstruct its charge stability diagram. We achieve sensitive and fast detection of the interdot transition with a signal-to-noise ratio of 3.5 within 1 μs integration time. The charge-photon interaction is quantified in the dispersive and resonant regimes by comparing the resonator response to input-output theory, yielding a coupling strength of g/2π = 49.7 MHz. Our results introduce cQED as a probe for quantum dots in van der Waals materials and indicate a path toward coherent charge-photon coupling with bilayer graphene quantum dots.

Effect of iron layer thickness on the interlayer exchange coupling in Fe/MgO (001) superlattices

We describe the effect of the Fe layer thickness on the antiferromagnetic interlayer exchange coupling in [Fe/MgO]N superlattices. An increase in coupling strength with increasing Fe layer thickness is observed, which highlights the need for including the extension of both layers when discussing the interlayer exchange coupling in superlattices. Published by the American Physical Society 2024

Enhanced trapping properties of coupled plasmonic tweezers via plasmon-exciton interaction

Excited plasmonic nanoantennas enable the manipulation of photons coupled with quantum emitters or the trapping of particles as plasmonic tweezers, leveraging the strong evanescent gradient fields at the nanoscale. However, the ohmic loss of metals presents a significant challenge for the stable and high-precision manipulation of nanoparticles without causing damage. In this study, we investigated the enhanced trapping properties induced by plasmon-exciton interaction for coupled plasmonic tweezers. Through the coupling between plasmons and excitons, dynamic particle trapping is achievable under low excitation power conditions of 0.45 mW, with the trapping stiffness increasing by nearly 20 times. Furthermore, the trapping stiffness can be fine-tuned by modulating the quantity of excitons to regulate the coupling strength. Coupled plasmonic tweezers offer an effective strategy to mitigate the influence of ohmic loss on trapping performance, by manipulating particles with minimal laser power. These findings provide insights into enhancing trapping performance through plasmon-exciton coupling, with potential applications in biomedicine and quantum information science.

Exceptional point proximity-driven mode-locking in coupled microresonators

We show theoretically and numerically that mode-locking is feasible with a coupled-cavity system with gain and loss, notably, without any natural saturable absorber. We highlight that in the vicinity of the exceptional point, system Q exhibits substantial modulation even with minor refractive index changes and a minimal Kerr effect contribution. Leveraging this unique behavior, we propose an unprecedented approach wherein the lossy auxiliary cavity functions as an efficient artificial saturable absorber, thus facilitating mode-locking. This approach is not only novel, but also presents considerable advantages over conventional systems where both gain and saturable absorption are contained within a single microcavity. These benefits include reduced operational power and ease of post-adjustment, achievable through the manipulation of the coupling strength between the two microcavities.

Resonator embedded photonic crystal surface emitting lasers

The finite size of 2D photonic crystals results in them being a lossy resonator, with the normally emitting modes of conventional photonic crystal surface emitting lasers (PCSELs) differing in photon lifetime via their different radiative rates, and the different in-plane losses of higher order spatial modes. As a consequence, the fundamental spatial mode (lowest in-plane loss) with lowest out-of-plane scattering is the primary lasing mode. For electrically driven PCSELs, as current is increased, incomplete gain clamping results in additional spatial (and spectral) modes leading to a reduction in beam quality. A number of approaches have been discussed to enhance the area (power) scalability of epitaxy regrown PCSELs through careful design of the photonic crystal atom1–3. None of these approaches tackle the inflexibility in being unable to independently modify the photon lifetime of the different modes at the Γ2 point. As a method to introduce design flexibility, resonator embedded photonic crystal surface emitting lasers (REPCSELs) are introduced. This device, combining comparatively low coupling strength photonic crystal structures along with perimeter mirrors, allow a Fabry–Pérot resonance effect to be realised that provides wavelength selective modification of the photon lifetime. We show that surface emission of different surface emitting modes may be selectively enhanced, effectively changing the character of the modes at the Γ2 point. This is a consequence of the selective modification of in-plane loss for particular modes, and is dependent upon the alignment of the photonic crystal (PhC) band-structure and distributed Bragg reflectors’ (DBRs) reflectance spectrum. These findings offer new avenues in surface emitting laser diode engineering. The use of DBRs to reduce the lateral size of a PCSEL opens the route to small, low threshold current (Ith), high output efficiency epitaxy regrown PCSELs for high-speed communication and power sensitive sensing applications.

Coupled Memristor Oscillators for Neuromorphic Locomotion Control: Modeling and Analysis.

The recent surge of interest in brain-inspired architectures along with the development of nonlinear dynamical electronic devices and circuits has enabled energy-efficient hardware realizations of several important neurobiological systems and features. Central pattern generator (CPG) is one such neural system underlying the control of various rhythmic motor behaviors in animals. A CPG can produce spontaneous coordinated rhythmic output signals without any feedback mechanism, ideally realizable by a system of coupled oscillators. Bio-inspired robotics aims to use this approach to control the limb movement for synchronized locomotion. Hence, devising a compact and energy-efficient hardware platform to implement neuromorphic CPGs would be of great benefit for bio-inspired robotics. In this work, we demonstrate that four capacitively coupled vanadium dioxide (VO2) memristor-based oscillators can produce spatiotemporal patterns corresponding to the primary quadruped gaits. The phase relationships underlying the gait patterns are governed by four tunable bias voltages (or four coupling strengths) making the network programmable, reducing the complex problem of gait selection and dynamic interleg coordination to the choice of four control parameters. To this end, we first introduce a dynamical model for the VO2 memristive nanodevice, then perform analytical and bifurcation analysis of a single oscillator, and finally demonstrate the dynamics of coupled oscillators through extensive numerical simulations. We also show that adopting the presented model for a VO2 memristor reveals a striking resemblance between VO2 memristor oscillators and conductance-based biological neuron models such as the Morris-Lecar (ML) model. This can inspire and guide further research on implementation of neuromorphic memristor circuits that emulate neurobiological phenomena.

Containment control for fractional-order networked system with intermittent sampled position communication

This paper investigates containment control for fractional-order networked systems. Two novel intermittent sampled position communication protocols, where controllers only need to keep working during communication width of every sampling period under the past sampled position communication of neighbors’ agents. Then, some necessary and sufficient conditions are derived to guarantee containment about the differential order, sampling period, communication width, coupling strengths, and networked structure. Taking into account of the delay, a detailed discussion to guarantee containment is given with respect to the delay, sampling period, and communication width. Interestingly, it is discovered that containment control cannot be guaranteed without delay or past sampled position communication under the proposed protocols. Finally, the effectiveness of theoretical results is demonstrated by some numerical simulations.

Classification of musical intervals by spiking neural networks: Perfect student in solfége classes.

We investigate a spike activity of a network of excitable FitzHugh-Nagumo neurons, which is under constant two-frequency auditory signals. The neurons are supplemented with linear frequency filters and nonlinear input signal converters. We show that it is possible to configure the network to recognize a specific frequency ratio (musical interval) by selecting the parameters of the neurons, input filters, and coupling between neurons. A set of appropriately configured subnetworks with different topologies and coupling strengths can serve as a classifier for musical intervals. We have found that the selective properties of the classifier are due to the presence of a specific topology of coupling between the neurons of the network.

Binary system modes of matrix-coupled multidimensional oscillators

The standard Kuramoto model has been instrumental in explaining synchronization and desynchronization, two emergent phenomena often observed in biological, neuronal, and physical systems. While the Kuramoto model has turned out effective with one-dimensional oscillators, real-world systems often involve high-dimensional interacting units, such as biological swarms, necessitating a model of multidimensional oscillators. However, existing high-dimensional generalizations of the Kuramoto model commonly rely on a scalar-valued coupling strength, which limits their ability to capture the full complexity of high-dimensional interactions. This work introduces a matrix, A, to couple the interconnected components of the oscillators in a d-dimensional space, leading to a matrix-coupled multidimensional Kuramoto model that approximates a prototypical swarm dynamics by its first-order Fourier harmonics. Moreover, the matrix A introduces an inter-dimensional higher-order interaction that partly accounts for the emergence of 2 d system modes in a d-dimensional population, where each dimension can either be synchronized or desynchronized, represented by a set of almost binary order parameters. The binary system modes capture characteristic swarm behaviors such as fish milling or polarized schooling. Additionally, our findings provides a theoretical analogy to cerebral activity, where the resting state and the activated state coexist unihemispherically. It also suggests a new possibility for information storage in oscillatory neural networks.

Influence of a static electric field on a one-dimensional Bose-Fermi mixture confined in a double-well potential

In this study, we conducted a detailed investigation into the time evolution of the probability density within a 1D double-well potential hosting a Bose-Fermi mixture. This system comprised spinless bosons and spin one-half fermions with weak repulsive contact interactions. Notably, even at very low effective coupling constants, periodic probabilities were observed, indicating correlated tunneling of both bosons and fermions, leading to complete miscibility, which disappears when an external electric field is turned on. The electric field accentuated fermion-fermion interactions due to the Pauli exclusion principle, altering both boson density and interactions and leading to spatial redistribution of particles. These findings underscore the complex interplay between interactions, external fields, and spatial distributions within confined quantum systems. Our exploration of higher interaction strengths revealed conditions under which probability density functions are decoupled. Furthermore, we observed that increased fermion interaction, driven by the electric field, led to higher tunneling frequencies for both species because of the repulsive nature of the boson-fermion interaction. Conversely, increased boson-boson interaction resulted in complete tunneling of both species, especially when boson density was high, leading to effective fermion repulsion. Expanding our analysis to scenarios involving four bosons demonstrated that higher interaction values corresponded to increased oscillation frequencies in tunneling probabilities. Finally, by manipulating interaction parameters and activating the electric field, we achieved complete tunneling of both species, further increasing oscillation frequencies and resulting in intervals characterized by overlapping probability functions.

Unraveling the Nature of Spin Coupling in a Metal-Free Diradical: Theoretical Distinction of Ferromagnetic and Antiferromagnetic Interactions.

Metal-free diradicals based on polycyclic aromatic hydrocarbons are promising candidates for organic spintronics due to their stable magnetism and tunable spin coupling. However, distinguishing and elucidating the origins of ferromagnetic and antiferromagnetic interactions in these systems remain challenging. Here, we investigate the 2-OS diradical molecule sandwiched between gold electrodes using a combined density functional theory and hierarchical equations of motion approach. We find that the dihedral angle between the radical moieties controls the nature and strength of the intramolecular spin coupling, transitioning smoothly from antiferromagnetic to ferromagnetic as the angle increases. Distinct features in the inelastic electron tunneling spectra are identified that can discern the two coupling regimes, including spin excitation steps whose energies directly reveal the exchange coupling constant. Mechanical stretching of the junction is predicted to modulate the spectral line shapes by adjusting the hybridization of the molecular radicals with the electrodes. Our work elucidates the electronic origin of tunable spin interactions in 2-OS and provides spectroscopic fingerprints for characterizing magnetism in metal-free diradicals.

Infinitely degenerate slowly rotating solutions in f(R) gravity

This work tests the no-hair conjecture in f(R) gravity models. No-hair conjecture asserts that all black holes in general relativity coupled to any matter must be Kerr–Newman type. However, the conjecture fails in some cases with non-linear matter sources. Here, we address this by explicitly constructing multiple slow-rotating black hole solutions, up to second order in rotational parameter, for a class of f(R) models ( f(R)=(α0+α1R)p,p>1 ). Such an f(R) includes all higher-powers of R. We analytically show that multiple vacuum solutions satisfy the field equations up to the second order in the rotational parameter. In other words, we show that the multiple vacuum solutions depend on arbitrary constants, which depend on the coupling parameters of the model. Hence, our results indicate that the no-hair theorem for modified gravity theories merits extending to include the coupling constants. The uniqueness of our result stems from the fact that these are obtained directly from metric formalism without conformal transformation. We discuss the kinematical properties of these black hole solutions and compare them with slow-rotating Kerr. Specifically, we show that the circular orbits for the black holes in f(R) are smaller than that of Kerr. This implies that the inner-most stable circular orbit for black holes in f(R) is smaller than Kerr’s; hence, the shadow radius might also be smaller. Finally, we discuss the implications of our results for future observations.

Interplay of altermagnetism and weak ferromagnetism in two-dimensional RuF4

Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF4 monolayer is a two-dimensional (2D) d-wave altermagnet. Spin–orbit coupling leads to pronounced spin splitting of the electronic bands at the Γ point by ∼100meV and turns the RuF4 into a weak ferromagnet due to nontrivial spin-momentum locking that cants the Ru magnetic moments. The net magnetic moment scales linearly with the spin–orbit coupling strength. Using group theory we derive an effective spin Hamiltonian capturing the spin-splitting and spin-momentum locking of the electronic bands. Disentanglement of the altermagnetic and spin–orbit coupling induced spin splitting uncovers to which extent the altermagnetic properties are affected by the spin–orbit coupling. Our results move the spotlight to the nontrivial spin-momentum locking and weak ferromagnetism in the 2D altermagnets relevant for novel venues in this emerging field of material science research.

Resonant exchange of chiral Majorana Fermions modulated by two parallel quantum dots

Resonant exchange of the chiral Majorana fermions (MFs) that is coupled to two parallel Majorana zero modes (MZMs) or two parallel quantum dots (QDs) is investigated. We find that, in the two QDs coupling case, the resonant exchange for the chiral MFs is analogous to that in the MZM coupling case. We further propose a circuit based on topological superconductor, which is formed by the proximity coupling of a quantum anomalous Hall insulator and a s-wave superconductor, to observe the resonant exchange of chiral MFs pairs. The numerical calculations show that the resonant transmission of the chiral MFs can be adjusted by varying the coupling parameters at superconductor phase difference Δφ=π . It is particularly noteworthy that, by only modulating the coupling strength between the two QDs, the resonant exchange may be switched on or off. By adding another MZM, the non-Abelian braiding like operation can be realized. Therefore, our design scheme may provide another way for non-Abelian braiding operation of MFs and the findings may have potential application value in the realization of topological quantum computers.

Generalized gluon distribution for quarkonium dynamics in strongly coupled N=4 Yang-Mills theory

We study the generalized gluon distribution that governs the dynamics of quarkonium inside a non-Abelian thermal plasma characterizing its dissociation and recombination rates. This gluon distribution can be written in terms of a correlation function of two chromoelectric fields connected by an adjoint Wilson line. We formulate and calculate this object in N=4 supersymmetric Yang-Mills theory at strong coupling using the AdS/CFT correspondence, allowing for a nonzero center-of-mass velocity v of the heavy quark pair relative to the medium. The effect of a moving medium on the dynamics of the heavy quark pair is described by the simple substitution T→γT in agreement with previous calculations of other observables at strong coupling, where T is the temperature of the plasma in its rest frame, and γ=(1−v2)−1/2 is the Lorentz boost factor. Such a velocity dependence can be important when the quarkonium momentum is larger than its mass. Contrary to general expectations for open quantum systems weakly coupled with large thermal environments, the contributions to the transition rates that are usually thought of as the leading ones in Markovian descriptions vanish in this strongly coupled plasma. This calls for new theoretical developments to assess the effects of strongly coupled non-Abelian plasmas on in-medium quarkonium dynamics. Finally, we compare our results with those from weakly coupled QCD, and find that the QCD result moves toward the N=4 strongly coupled result as the coupling constant is increased within the regime of applicability of perturbation theory. This behavior makes it even more pressing to develop a non-Markovian description of quarkonium in-medium dynamics. Published by the American Physical Society 2024

Superconductivity in breathing kagome-structured C14 Laves phase XOs2(X = Zr, Hf)

Recently, the emergence of superconductivity in kagome metals has generated significant interest due to its interaction with flat bands and topological electronic states, which exhibit a range of unusual quantum characteristics. This study thoroughly investigates largely unexplored breathing kagome structure C14 Laves phase compounds XOs2 (X = Zr, Hf) by XRD, electrical transport, magnetization, and specific heat measurements. Our analyses confirm the presence of the MgZn2-type structure in ZrOs2 and HfOs2 compounds, exhibiting type-II superconductivity with critical temperature ( TC ) values of 2.90(3) K and 2.69(6) K, respectively. Furthermore, specific heat measurements and electron–phonon coupling constants for both compounds indicate weakly coupled fully gapped superconductivity.