Long-range Coupling Research Articles

Vortex structures in a rotating Rydberg-dressed Bose-Einstein condensate with the Lee-Huang-Yang correction

We numerically investigate the vortex structures in a fast rotating two-dimensional Rydberg-dressed Bose-Einstein condensate (BEC) taking into account the Lee-Huang-Yang (LHY) quantum correction. In a rotating BEC of reduced dimensionality, it is shown that there is room to tune the LHY coupling against the short- and long-range couplings. In the absence of the LHY effect, hexagonal, square, striped, and honeycomb lattices can exhibit upon increasing the long-range interaction, which can be realized in the context of superfluid (SF)-supersolid (SS) transition. In the presence of the LHY effect, competition between LHY and long-range terms results in rich lattice structures. In particular, clustering of multiple vortices can occur due to the trapping effect of the SS triangles or grids. Estimates of number of vortices in the clustering are provided.

Conformational Analysis of Diterpene Lactone Andrographolide towards Reestablishment of Its Absolute Configuration via Theoretical and Experimental ECD and VCD Methods

Andrographolide, the major constituent from the terrestrial plant Andrographis paniculata is a much-studied bioactive ent-labdane diterpene lactone and has become an important medicinal intermediate. Its structure as determined by X-ray crystallography has been applied in molecular docking studies to explain biological activities. Nevertheless, recently there has been a number of conflicting reports concerning the stereochemistry at the C-14 and C-10 positions affecting the absolute configuration (AC) of the compound. Since a lack of information on the molecular flexibility of the molecule can lead to misleading conclusions on biological activity, a conformational analysis of the molecule in the solution state was necessary. The conformational analysis was performed by the Spartan14 package using the Merck Molecular Force Field (MMFF). The exciton chirality method in electronic circular dichroism spectroscopy (ECM-ECD) and vibrational circular dichroism (VCD) techniques were then jointly employed to re-establish the AC of andrographolide. Theoretical calculations were performed using TD-DFT methods by using the hybrid functionals B3LYP and CAM-B3LYP combined with 6-31G(d,p) basis set. Long-range exciton coupling of 2-naphthoyl chromophores at C-14 and C-19 led to the establishment of the AC to be 3R, 4R, 5S, 9R, 10R and 14S. Comparison between the theoretical VCD data of 14-S and 14-R stereoisomer confirmed a configuration of S at C-14 position instead of R.

Entanglement properties of disordered quantum spin chains with long-range antiferromagnetic interactions

We examine the concurrence and entanglement entropy in quantum spin chains with random long-range couplings, spatially decaying with a power-law exponent $\alpha$. Using the strong disorder renormalization group (SDRG) technique, we find by analytical solution of the master equation a strong disorder fixed point, characterized by a fixed point distribution of the couplings with a finite dynamical exponent, which describes the system consistently in the regime $\alpha > 1/2$. A numerical implementation of the SDRG method yields a power law spatial decay of the average concurrence, which is also confirmed by exact numerical diagonalization. However, we find that the lowest-order SDRG approach is not sufficient to obtain the typical value of the concurrence. We therefore implement a correction scheme which allows us to obtain the leading order corrections to the random singlet state. This approach yields a power-law spatial decay of the typical value of the concurrence, which we derive both by a numerical implementation of the corrections and by analytics. Next, using numerical SDRG, the entanglement entropy (EE) is found to be logarithmically enhanced for all $\alpha$, corresponding to a critical behavior with an effective central charge $c = {\rm ln} 2$, independent of $\alpha$. This is confirmed by an analytical derivation. Using numerical exact diagonalization (ED), we confirm the logarithmic enhancement of the EE and a weak dependence on $\alpha$. For a wide range of distances $l$, the EE fits a critical behavior with a central charge close to $c=1$, which is the same as for the clean Haldane-Shastry model with a power-la-decaying interaction with $\alpha =2$. Consistent with this observation, we find using ED that the concurrence shows power law decay, albeit with smaller power exponents than obtained by SDRG.

Diffusion of excitations and power-law localization in strongly disordered systems with long-range coupling

We investigate diffusion of excitation in one- and two-dimensional lattices with random on-site energies and deterministic long-range couplings (hopping) inversely proportional to the distance. Three regimes of diffusion are observed in strongly disordered systems: ballistic motion at short time, standard diffusion for intermediate times, and a stationary phase (saturation) at long times. We propose an analytical solution valid in the strong-coupling regime which explains the observed dynamics and relates the ballistic velocity, diffusion coefficient, and asymptotic diffusion range to the system size and disorder strength via simple formulas. We show also that in the long-time asymptotic limit of diffusion from a single site the occupations form a heavy-tailed power-law distribution.

Long-Range LMCT Coupling in EuIII Coordination Polymers for an Effective Molecular Luminescent Thermometer*.

A design for an effective molecular luminescent thermometer based on long-range electronic coupling in lanthanide coordination polymers is proposed. The coordination polymers are composed of lanthanide ions EuIII and GdIII , three anionic ligands (hexafluoroacetylacetonate), and a chrysene-based phosphine oxide bridges (6,12-bis(diphenylphosphoryl)chrysene). The zig-zag orientation of the single polymer chains induces the formation of packed coordination structures containing multiple sites for CH-F intermolecular interactions, resulting in thermal stability above 350 °C. The electronic coupling is controlled by changing the concentration of the GdIII ion in the EuIII -GdIII polymer. The emission quantum yield and the maximum relative temperature sensitivity (Sm ) of emission lifetimes for the EuIII -GdIII polymer (Eu:Gd=1:1, Φtot =52 %, Sm =3.73 % K-1 ) were higher than those for the pure EuIII coordination polymer (Φtot =36 %, Sm =2.70 % K-1 ), respectively. Enhanced temperature sensing properties are caused by control of long-range electronic coupling based on phosphine oxide with chrysene framework.

Improving emotional-action control by targeting long-range phase-amplitude neuronal coupling.

Control over emotional action tendencies is essential for everyday interactions. This cognitive function fails occasionally during socially challenging situations, and systematically in social psychopathologies. We delivered dual-site phase-coupled brain stimulation to facilitate theta-gamma phase-amplitude coupling between frontal regions known to implement that form of control, while neuropsychologically healthy human male participants were challenged to control their automatic action tendencies in a social-emotional approach/avoidance-task. Participants had increased control over their emotional action tendencies, depending on the relative phase and dose of the intervention. Concurrently measured fMRI effects of task and stimulation indicated that the intervention improved control by increasing the efficacy of anterior prefrontal inhibition over the sensorimotor cortex. This enhancement of emotional action control provides causal evidence for phase-amplitude coupling mechanisms guiding action selection during emotional-action control. Generally, the finding illustrates the potential of physiologically-grounded interventions aimed at reducing neural noise in cerebral circuits where communication relies on phase-amplitude coupling.

Coupling correlation detrended analysis for multiple nonstationary series

Research on the temporal fluctuations of complex process is helpful to understand the underlying dynamical mechanisms. Here we propose a method called coupling correlation detrended analysis (CCDA) which allows us to rigorously and robustly test the long-range coupling properties of multivariate time series resulting from complex system. By introducing sign information of fluctuations, this new algorithm overcomes the limitation of existing CDFA method causing spurious coupling correlations. Efficiency of the method is showed on two artificial tests. Furthermore, a new R-statistic is proposed to explore the multifractal source of the coupling, which can quantify the contribution of every series to the system at different time scales and different fluctuations. We also apply the method on six air pollutant concentration series from different seasons in Beijing’s AQI system and uncover some interesting results.

The resistivity upturn in Ni–Mn–In alloys exhibiting magnetic field induced shift in martensitic transition with and without Co doping

The temperature dependent resistivity behavior of Ni2Mn1+xIn1−x (0.32 ≤x≤ 0.48), Ni1.81Co0.22Mn1.46In0.51 and Ni1.81Co0.22Mn1.45In0.52 is studied with and without applied magnetic field. These alloys exhibit inverse magnetocaloric effect and giant magnetoresistance that are important for applications like magnetic refrigeration and magnetic sensors. The properties arise due to shift in martensitic transition to lower temperature with applied magnetic field. The doping of Co at Ni site and Mn at In site affects the disorder in the system. The disorder is an important factor that decides the requirement of magnetic field for applicability. In present manuscript, the effect of disorder is studied through resistivity behaviour. The resistivity upturn is observed at low temperature. The upturn is fitted by least square method. The fitting reveals nature of disorder, origin of low temperature resistivity behavior with magnetic field, and consequently reveals the cause of difference in magnetic field induced large shift in martensitic transition to lower temperature with composition. The results reveal that long-range antiferromagnetic coupling and balance of Co and Mn doping amount is desired in new material design for technical applications.

Structure of inhibitor-bound mammalian complex I

Respiratory complex I (NADH:ubiquinone oxidoreductase) captures the free energy from oxidising NADH and reducing ubiquinone to drive protons across the mitochondrial inner membrane and power oxidative phosphorylation. Recent cryo-EM analyses have produced near-complete models of the mammalian complex, but leave the molecular principles of its long-range energy coupling mechanism open to debate. Here, we describe the 3.0-Å resolution cryo-EM structure of complex I from mouse heart mitochondria with a substrate-like inhibitor, piericidin A, bound in the ubiquinone-binding active site. We combine our structural analyses with both functional and computational studies to demonstrate competitive inhibitor binding poses and provide evidence that two inhibitor molecules bind end-to-end in the long substrate binding channel. Our findings reveal information about the mechanisms of inhibition and substrate reduction that are central for understanding the principles of energy transduction in mammalian complex I.

Knock-Down of Hippocampal DISC1 in Immune-Challenged Mice Impairs the Prefrontal–Hippocampal Coupling and the Cognitive Performance Throughout Development

Disrupted-in-schizophrenia 1 (DISC1) gene represents an intracellular hub of developmental processes. When combined with early environmental stressors, such as maternal immune activation, but not in the absence of thereof, whole-brain DISC1 knock-down leads to memory and executive deficits as result of impaired prefrontal–hippocampal communication throughout development. While synaptic dysfunction in neonatal prefrontal cortex (PFC) has been recently identified as one source of abnormal long-range coupling, the contribution of hippocampus (HP) is still unknown. Here, we aim to fill this knowledge gap by combining in vivo electrophysiology and optogenetics with morphological and behavioral assessment of immune-challenged mice with DISC1 knock-down either in the whole brain (GE) or restricted to pyramidal neurons in hippocampal CA1 area (GHPE). We found abnormal network activity, sharp-waves, and neuronal firing in CA1 that complement the deficits in upper layer of PFC. Moreover, optogenetic activating CA1 pyramidal neurons fails to activate the prefrontal local circuits. These deficits that persist till prejuvenile age relate to dendrite sparsification and loss of spines of CA1 pyramidal neurons. As a long-term consequence, DISC1 knock-down in HP leads to poorer recognition memory at prejuvenile age. Thus, DISC1-controlled developmental processes in HP in immune-challenged mice are critical for circuit function and cognitive behavior.

Entanglement Hamiltonians for non-critical quantum chains

We study the entanglement Hamiltonian for finite intervals in infinite quantum chains for two different free-particle systems: coupled harmonic oscillators and fermionic hopping models with dimerization. Working in the ground state, the entanglement Hamiltonian describes again free bosons or fermions and is obtained from the correlation functions via high-precision numerics for up to several hundred sites. Far away from criticality, the dominant on-site and nearest-neighbour terms have triangular profiles that can be understood from the analytical results for a half-infinite interval. Near criticality, the longer-range couplings, although small, lead to a more complex picture. A comparison between the exact spectra and entanglement entropies and those resulting from the dominant terms in the Hamiltonian is also reported.

Completely Positive, Simple, and Possibly Highly Accurate Approximation of the Redfield Equation

Here we present a Lindblad master equation that approximates the Redfield equation, a well known master equation derived from first principles, without significantly compromising the range of applicability of the Redfield equation. Instead of full-scale coarse-graining, this approximation only truncates terms in the Redfield equation that average out over a time-scale typical of the quantum system. The first step in this approximation is to properly renormalize the system Hamiltonian, to symmetrize the gains and losses of the state due to the environmental coupling. In the second step, we swap out an arithmetic mean of the spectral density with a geometric one, in these gains and losses, thereby restoring complete positivity. This completely positive approximation, GAME (geometric-arithmetic master equation), is adaptable between its time-independent, time-dependent, and Floquet form. In the exactly solvable, three-level, Jaynes-Cummings model, we find that the error of the approximate state is almost an order of magnitude lower than that obtained by solving the coarse-grained stochastic master equation. As a test-bed, we use a ferromagnetic Heisenberg spin-chain with long-range dipole-dipole coupling between up to 25-spins, and study the differences between various master equations. We find that GAME has the highest accuracy per computational resource.

Piezoelectric Electron-Phonon Interaction from AbInitio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN.

First-principles calculations of e-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) e-ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range e-ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range e-ph interaction due to dynamical quadrupoles, and apply this framework to investigate e-ph interactions and the carrier mobility in the PE material wurtzite GaN. We show that the quadrupole contribution is essential to obtain accurate e-ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing e-ph interactions for acoustic modes from first principles, and enables studies of e-ph coupling and charge transport in PE materials.

Magnetic critical behavior of the van der Waals Fe5GeTe2 crystal with near room temperature ferromagnetism

The van der Waals ferromagnet Fe5GeTe2 has a Curie temperature TC of about 270 K, which is tunable through controlling the Fe deficiency content and can even reach above room temperature. To achieve insights into its ferromagnetic exchange that gives the high TC, the critical behavior has been investigated by measuring the magnetization in Fe5GeTe2 crystal around the ferromagnetic ordering temperature. The analysis of the measured magnetization by using various techniques harmonically reached to a set of reliable critical exponents with TC = 273.7 K, β = 0.3457 ± 0.001, γ = 1.40617 ± 0.003, and δ = 5.021 ± 0.001. By comparing these critical exponents with those predicted by various models, it seems that the magnetic properties of Fe5GeTe2 could be interpreted by a three-dimensional magnetic exchange with the exchange distance decaying as J(r) ≈ r−4.916, close to that of a three-dimensional Heisenberg model with long-range magnetic coupling.

Analysis of temporal correlation in heart rate variability through maximum entropy principle in a minimal pairwise glassy model

In this work we apply statistical mechanics tools to infer cardiac pathologies over a sample of M patients whose heart rate variability has been recorded via 24 h Holter device and that are divided in different classes according to their clinical status (providing a repository of labelled data). Considering the set of inter-beat interval sequences {mathbf {r}(i) } = { r_1(i), r_2(i), ldots , }, with i=1,ldots ,M, we estimate their probability distribution P(mathbf {r}) exploiting the maximum entropy principle. By setting constraints on the first and on the second moment we obtain an effective pairwise (r_n,r_m) model, whose parameters are shown to depend on the clinical status of the patient. In order to check this framework, we generate synthetic data from our model and we show that their distribution is in excellent agreement with the one obtained from experimental data. Further, our model can be related to a one-dimensional spin-glass with quenched long-range couplings decaying with the spin–spin distance as a power-law. This allows us to speculate that the 1/f noise typical of heart-rate variability may stem from the interplay between the parasympathetic and orthosympathetic systems.

Band structure and the exceptional ring in a two-dimensional superconducting circuit lattice

We investigate the energy band structure and exceptional ring in a two-dimensional superconducting circuit lattice. In the case of a Hermitian Hamiltonian, by modulating the on-site potential, we find that the single Dirac point splits into four degenerate points. For the non-Hermitian situation, we find that the flat band is significantly destroyed by the presence of gain and loss and the introduction of long-range coupling makes the zero-energy flat band survive because of the protection of chiral symmetry. Meanwhile, the purely real spectrum can be transformed into the purely imaginary spectrum via modulating the parameters appropriately. Furthermore, when the nonreciprocal next-nearest-neighbor couplings are continuously modulated, the two exceptional rings become one and a Dirac-like point occurs inside the exceptional ring. Our scheme opens the promising possibilities for exploring the topological property of two-dimensional superconducting circuit lattice system.

Radiative heat flux through a topological Su-Schrieffer-Heeger chain of plasmonic nanoparticles

We investigate the radiative heat transport along a Su-Schrieffer-Heeger chain of InSb nanoparticles. We show that in the topological non-trivial phase, the edge modes dominate the radiative heat transport despite their strong localization at the edges of the finite chain due to a long-range coupling of the first and last particle. We further discuss the scaling laws of the heat transfer with respect to the chain length for the longitudinal and transversal band- and edge modes and conclude that both type of modes obey the same scaling law.

Realization of programmable nanomechanical lattice with both nearest-neighboring and next-nearest-neighboring couplings

The programmable artificial lattice, based on the controllability of coupling strengths and the scalability of multiple sites, is desperately desired in engineering metamaterials and exploring fundamental physics. In this work, we experimentally present a programmable lattice consisting of multiple paralleled nanomechanical resonators, whose internal interactions can be linearly manipulated by external voltages. Flexural modes of nearest-neighboring (NN) and next-nearest-neighboring (NNN) resonators are parametrically coupled through modulated electrostatic interactions. Particularly, in a wide range up to deep strong coupling regimes, both the NN and NNN coupling strengths are precisely proportional to manipulation voltage. The realization of long-range coupling provides a promising prospect in constructing a complex lattice structure, which is essential for investigating mechanical logic devices, topological physics, and coherent phononic dynamics.

The two-dimensional fractional discrete nonlinear Schrödinger equation

We study a fractional version of the two-dimensional discrete nonlinear Schrödinger (DNLS) equation, where the usual discrete Laplacian is replaced by its fractional form that depends on a fractional exponent s that interpolates between the case of an identity operator (s=0) and that of the usual discrete 2D Laplacian (s=1). This replacement leads to a long-range coupling among sites that, at low values of s, decreases the bandwidth and leads to quasi-degenerate states. The mean square displacement of an initially-localized excitation is shown to be ballistic at all times with a ‘speed’ that increases monotonically with the fractional exponent s. We also compute the nonlinear modes and their stability for both, bulk and surface modes. The modulational stability is seen to increase with an increase in the fractional exponent. The trapping of an initially localized excitation shows a selftrapping transition as a function of nonlinearity strength, whose threshold increases with the value of s. In the linear limit, there persists a linear trapping at small s values. This behavior is connected with the decrease of the bandwidth and its associated increase in quasi-degeneracy.

Long-range perturbation of helical edge states by nonmagnetic defects in two-dimensional topological insulators

We study the electronic states that are formed due to the tunnel coupling between helical edge states (HESs) and bound states of nonmagnetic point defects in two-dimensional topological insulators in the general case of broken axial spin symmetry. It is found that the coupling of HESs and a single defect leads to the formation of composite HESs composed of the bound states and a set of the conventional HESs. Their spectral density near the defect has a resonance shifted relative to the energy level of the bound state. But of most importance is a long-range perturbation of the HESs around the defect, which is a cloud consisting of both Kramers partners of conventional edge states. Therefore each of the composite HESs contains both the right- and left-moving conventional HESs. The amplitude of this perturbation decreases inversely with the distance from the defect. In a system of many defects, this perturbation leads to a long-range coupling between bound states of different defects mediated by the HESs and causes amazing effects. We study these effects for a two-defect system where the proposed mechanism of indirect coupling leads to a splitting of the resonances of isolated defects even if the distance between them is very large. As a result an asymmetric structure of two-peak resonance arises that very unusually changes with the distance between the defects.