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The structure of the energy levels of excited symmetric donor–acceptor octupolar molecules suggests a completely symmetric state and a degenerate doublet. For most molecules, the doublet is the first excited state, which is called the normal level order, but there are molecules with the reverse level order. Symmetry breaking charge transfer (SBCT) and its effect on the transient dipole moment in these structures are studied. It has been established that for reverse level order, SBCT is possible only if the reorganization energy exceeds a certain threshold, whereas for the normal level order, there is no such threshold. The lowest completely symmetric excited state is shown to become bright after SBCT. The dependence of the fluorescence transition dipole moment on the SBCT extent is calculated. It was established that the direction and magnitude of the transition dipole moment change similarly to the change in the dipole moment for the reverse level order, whereas for the normal level order, the changes are opposite. The effect of solvent thermal fluctuations on the transition dipole moment is simulated and discussed. A way for controlling the direction of the transition dipole moment by an external electric field is suggested. [ABSTRACT FROM AUTHOR]

This paper explores the emergence of topological interface states in one-dimensional locally resonant lattices incorporating inerters in both nearest neighbor (NN) and beyond-nearest neighbor (BNN) coupling. The investigation focuses on the unique wave propagation characteristics of these lattices, particularly the presence and behavior of interface states. The non-trivial topological behavior due to broken inversion symmetry within the unit cell of the locally resonant lattice is comprehensively investigated in the presence of inerters in NN and BNN coupling. The emerging interface states in the supercell analysis exhibit specific spatial and frequency localization properties due to inerter-based BNN interactions. Additionally, the study demonstrates the ability of inerter elements with weak inertance to control the frequency of interface states while maintaining the fundamental topological properties of the lattice. The identified topological interface states in lattices with BNN coupling present an opportunity for designing diverse devices, such as waveguides, filters, sensors, and energy harvesting systems. Overall, this research enhances our comprehension of topological phenomena in inerter-based locally resonant lattices with BNN interactions and introduces possibilities for creating robust and versatile devices based on topologically protected edge/interface states. [ABSTRACT FROM AUTHOR]

Density functional approximations to the exchange–correlation energy can often identify strongly correlated systems and estimate their energetics through energy-minimizing symmetry-breaking. In particular, the binding energy curve of the strongly correlated chromium dimer is described qualitatively by the local spin density approximation (LSDA) and almost quantitatively by the Perdew–Burke–Ernzerhof generalized gradient approximation (PBE-GGA), where the symmetry breaking is antiferromagnetic for both. Here, we show that a full Perdew–Zunger self-interaction-correction (SIC) to LSDA seems to go too far by creating an unphysical symmetry-broken state, with effectively zero magnetic moment but non-zero spin density on each atom, which lies ∼4 eV below the antiferromagnetic solution. A similar symmetry-breaking, observed in the atom, better corresponds to the 3d↑↑4s↑3d↓↓4s↓ configuration than to the standard 3d↑↑↑↑↑4s↑. For this new solution, the total energy of the dimer at its observed bond length is higher than that of the separated atoms. These results can be regarded as qualitative evidence that the SIC needs to be scaled down in many-electron regions. [ABSTRACT FROM AUTHOR]

The combined influence of spin–orbit coupling and spatial inversion asymmetry leads to an enhancement of electronic properties, including Rashba spin-splittings as well as spin Hall effect. Recent research has shown the possibility to create two-dimensional Janus materials with inherent structural asymmetry. In this work, the structural stability, piezoelectricity, electronic properties, and intrinsic spin Hall conductivity of quintuple-layer atomic Janus Sb2XSX' (X, X' = S, Se, Te; X ≠ X') monolayers are investigated using first-principles calculations within the framework of density functional theory. They demonstrate relatively high in-plane piezoelectric coefficients ( d 22) and also possess out-of-plane piezoelectric coefficients ( d 31), which is due to the breaking of inversion symmetry in the crystal structure with the space group P3m1. Large Rashba parameters are obtained in Janus Sb2XSX' monolayers, especially high for Sb 2 S 2 Te (1.62 eV Å) and Sb 2 SeSTe (1.33 eV Å) due to strong spin–orbit coupling. Moreover, Rashba-like spin-splitting is also observed in the edge-states as well, which is highest for Sb 2 SeSTe with 2.17 eV Å. Furthermore, Sb 2 S 2 Te and Sb 2 SeSTe monolayers reveal a significantly high Berry curvature (65.59 and 61.05 Bohr 2), spin Berry curvature (− 118.4 and − 120.6 Bohr 2), and spin Hall conductivity (1.8 and 1.6 e 2 /h). Our results suggest that Janus Sb 2 S 2 Te and Sb 2 SeSTe monolayers could be an excellent platform for multifunctional electronic applications. [ABSTRACT FROM AUTHOR]

In this paper, a new Stroh formalism for gradient electro-mechanics is derived for the first time, which is both mathematically concise and numerically powerful, applicable to generally coupled anisotropic material systems. Based on this new formalism, the complicated Lamb wave in flexoelectric and piezoelectric plates is investigated. The dispersion equation is obtained by solving the eigenvalue problem along with the unconditionally stable dual-variable and position method. From the obtained dispersion equation, the dispersion curves and mode shapes of the Lamb wave are calculated by the 1D form of the multidimensional moduli ratio convergence method. Two important and interesting features are observed from our analysis: One is the difference in the mode shape symmetry between the piezoelectric and flexoelectric cases, and the other is the size-dependent property of the flexoelectric effect as observed by nondimensionalization. These features are further illustrated by comparing the dispersion curves and wave-mode shapes among the three different material models (purely piezoelectric, purely flexoelectric, and flexoelectric and piezoelectric coupled). The newly derived Stroh formalism offers a robust, concise, and unified approach for dealing with strain gradient electro-mechanic materials with crystal systems of general anisotropy. The present work also explains the physical mechanism of symmetry breaking observed, as induced by flexoelectric coupling in piezoelectric materials. [ABSTRACT FROM AUTHOR]

Molecular chirality is represented as broken mirror symmetry in the structural orientation of constituent atoms and plays a pivotal role at every scale of nature. Since the discovery of the chiroptic property of chiral molecules, the characterization of molecular chirality is important in the fields of biology, physics, and chemistry. Over the centuries, the field of optical chiral sensing was based on chiral light–matter interactions between chiral molecules and polarized light. Starting from simple optics-based sensing, the utilization of plasmonic materials that could control local chiral light–matter interactions by squeezing light into molecules successfully facilitated chiral sensing into noninvasive, ultrasensitive, and accurate detection. In this Review, the importance of plasmonic materials and their engineering in chiral sensing are discussed based on the principle of chiral light–matter interactions and the theory of optical chirality and chiral perturbation; thus, this Review can serve as a milestone for the proper design and utilization of plasmonic nanostructures for improved chiral sensing. [ABSTRACT FROM AUTHOR]

The effect of a locally excited state on charge transfer symmetry breaking (SBCT) in excited quadrupolar molecules in solutions has been studied. The interaction of a locally excited state and two zwitterionic states is found to either increase or decrease the degree of SBCT depending on the molecular parameters. A strategy on how to adjust the molecular parameters to control the extent of SBCT is presented. The influence of level degeneracy on SBCT is identified and discussed in detail. The level degeneracy is shown to lead to the existence of a hidden dipole moment in excited quadrupolar molecules. Its manifestations in SBCT are analyzed. The main conclusions are consistent with the available experimental data. [ABSTRACT FROM AUTHOR]

Nickel/bismuth (Ni/Bi) bilayers have recently attracted attention due to the occurrence of time-reversal symmetry breaking in the superconducting state. Here, we report on the structural, magnetic, and electric characterization of thin film Ni/Bi bilayers with several Bi thicknesses. We observed the formation of a complex layered structure depending on the Bi thickness caused by the inter-diffusion of Bi and Ni which leads to the stabilization of NiBi 3 at the Bi/Ni interface. The superconducting transition temperature and the transition width are highly dependent on the Bi thickness and the layer structure. Magnetoelectric transport measurements in perpendicular and parallel magnetic fields were used to investigate the temperature-dependent upper critical field within the framework of the anisotropic Ginzburg–Landau theory and the Werthamer–Helfand–Hohenberg model. For thicker samples, we observed a conventional behavior, similar to that shown by NiBi 3 bulk samples, including a small Maki parameter (α M = 0), no spin–orbit scattering (λ S O = 0) and nearly isotropic coherence length (γ = ξ ⊥ (0) / ξ ∥ (0) ≈ 1). The values obtained for these properties are close to those characterizing NiBi 3 single crystals. On the other hand, in very thin samples, the Maki parameter increases to about α M = 2.8. In addition, the coherence length becomes anisotropic (γ = 0.32) and spin–orbit scattering (λ S O = 1.2) must be taken into account. Our results unequivocally show that the properties characterizing the superconducting state in the Ni/Bi are strongly dependent on the sample thickness. [ABSTRACT FROM AUTHOR]

For open-shell atoms and molecules, Kohn–Sham (KS) methods typically resort to spin-polarized approaches that exhibit spin-contamination and often break spatial symmetries. As a result, the KS Hamiltonian operator and the KS orbitals do not exhibit the space and spin symmetry of the physical electron system. The KS formalism can be symmetrized in a rigorous way only in real space, only in spin space, or both in real and spin space. Within such symmetrized KS frameworks, we present exact-exchange-only optimized-effective-potential (OEP) methods that are free of spin contamination and/or spatial symmetry breaking. The effect of symmetrizations on the total energy and its parts and on the exchange potential is analyzed. The presented exact-exchange-only OEP methods may serve as a starting point for high-level symmetrized KS methods based, e.g., on the adiabatic-connection fluctuation-dissipation theorem. [ABSTRACT FROM AUTHOR]

In connection to the chiral-induced spin selectivity effect, we theoretically analyze the electronic and spin states of edges of a finite p-orbital helical atomic chain with the intra-atomic spin–orbit interaction. This model can host the spin-filtering state in which two up-spins propagate in one direction and two down-spins propagate in the opposite direction without breaking the time-reversal symmetry (TRS). The enhancement of charge modulations concentrated at the edges due to the evanescent states is induced, although the spin density is absent because of the TRS. A Zeeman field at an edge of the atomic chain, which breaks the TRS, yields a finite spin polarization, whose direction depends on the chirality of the molecule. The chirality change induces a reasonable amount of the energy difference, which may provide an insight into the enantioselective adsorption of chiral molecules on the ferromagnetic surface. [ABSTRACT FROM AUTHOR]

In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level model subject to generic interactions in Mermin's DFT formulation in the grand canonical ensemble at finite temperature. The case of only density–density and Hund's rule interaction studied in earlier work is shown to be equivalent to an exact-exchange description of DFT in the real-space picture. In addition, we also include the so-called pair-hopping interaction which can be treated analytically and, crucially, leads to non-integer occupations of the Kohn–Sham (KS) levels even in the limit of zero temperature. Treating the hydrogen molecule in a minimal basis is shown to be equivalent to our two-level lattice DFT model. By means of the fractional occupations of the KS orbitals (which, in this case, are identical to the many-body ones) we reproduce the results of full configuration interaction, even in the dissociation limit and without breaking the spin symmetry. Beyond the minimal basis, we embed our HOMO-LUMO model into a standard DFT calculation and, again, obtain results in overall good agreement with exact ones without the need of breaking the spin symmetry. [ABSTRACT FROM AUTHOR]

In the paper, a metasurface is investigated, the unit cell of which consists of two resonators. We show that the breaking of the axial symmetry of the unit cell in such a structure leads to the appearance of two Fano resonances instead of one that is characteristic of the symmetric unit cell. The two resonances are different, one of which is symmetric and the other is asymmetric. This is confirmed by calculating the phases of currents in the adjacent resonators. Modeling results are confirmed by experimental investigation of the metasurface spectrum in a microwave frequency range showing two resonances measured experimentally. A detailed study of the currents flowing in the adjacent resonators of the unit cell demonstrates that currents at the Fano resonance dips flow either in phase or in antiphase with respect to the external electric field, whereas in peaks this difference is π /2. This confirms the interference nature of the Fano effect. [ABSTRACT FROM AUTHOR]

We develop a semi-analytical model of self-diffusioosmotic transport in active pores, which includes advective transport and the inverse chemical reaction that consumes solute. In previous work [Antunes et al., Phys. Rev. Lett. 129, 188003 (2022)], we have demonstrated the existence of a spontaneous symmetry breaking in fore-aft symmetric pores that enables them to function as a micropump. We now show that this pumping transition is controlled by three timescales. Two timescales characterize advective and diffusive transport. The third timescale corresponds to how long a solute molecule resides in the pore before being consumed. Introducing asymmetry to the pore (either via the shape or the catalytic coating) reveals a second type of advection-enabled transition. In asymmetric pores, the flow rate exhibits discontinuous jumps and hysteresis loops upon tuning the parameters that control the asymmetry. This work demonstrates the interconnected roles of shape and catalytic patterning in the dynamics of active pores and shows how to design a pump for optimum performance. [ABSTRACT FROM AUTHOR]

It is known that some non-dynamic effects of electron correlation can be included in coupled cluster theory using a tailoring technique that separates the effects of non-dynamic and dynamic correlations. Recently, the simple pCCD (pair coupled cluster doubles) wavefunction was shown to provide good results for some non-dynamic correlation problems, such as bond-breaking, in a spin-adapted way with no active space selection. In this paper, we report a study of excited states using "tailored coupled cluster singles and doubles," to attempt to use pCCD as a kernel for more complete coupled-cluster singles and doubles (CCSD) results for excited states. Several excited states are explored from those primarily due to single excitations to those dominated by doubly excited states and from singlet–triplet splittings for some diradical states. For the first two situations, tailored pCCD-TCCSD offers no improvement over equation of motion-CCSD. However, when we explore the singlet–triplet gap of diradical molecules that are manifestly multi-reference, a pCCD kernel provides improved results, particularly with generalized valence bond orbitals. [ABSTRACT FROM AUTHOR]

We introduce Sz spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is Sz symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all Sz sectors, breaking Sz symmetry. In addition, a projection scheme is used to restore global Sz, which gives rise to the Sz spin-projected generalized cluster mean-field (SzGcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J1 − J2 and XXZ Heisenberg models. Our results indicate that the new methods (GcMF and SzGcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work. [ABSTRACT FROM AUTHOR]

The nature of the second excited state in a quadrupolar molecule of the A–D–A structure, where A and D are an electron acceptor and an electron donor, respectively, has been studied. The orthogonality condition of the wave functions requires that the direction of the molecular dipole moment arising due to the charge transfer symmetry breaking be opposite in the first and second excited states. The dipole moment flip leads to large reorganization energy of the solvent upon excited state absorption. The manifestations of dipole flip are discussed. The dependence of the energy gap on the solvent polarity is found. The symmetry breaking effect on the transition dipole moment suppression is calculated. The available experimental data confirm the main conclusions. [ABSTRACT FROM AUTHOR]

The collective coupling of an ensemble of molecules to a light field is commonly described by the Tavis–Cummings model. This model includes numerous eigenstates that are optically decoupled from the optically bright polariton states. Accessing these dark states requires breaking the symmetry in the corresponding Hamiltonian. In this paper, we investigate the influence of non-unitary processes on the dark state dynamics in the molecular Tavis–Cummings model. The system is modeled with a Lindblad equation that includes pure dephasing, as it would be caused by weak interactions with an environment, and photon decay. Our simulations show that the rate of pure dephasing, as well as the number of two-level systems, has a significant influence on the dark state population. [ABSTRACT FROM AUTHOR]

Directional wicking and spreading of liquids can be achieved by regular micro-patterns of specifically designed topographic features that break the reflection symmetry of the underlying pattern. The present study aims to understand the formation and stability of wetting films during the evaporation of volatile liquid drops on surfaces with a micro-pattern of triangular posts arranged in a rectangular lattice. Depending on the density and aspect ratio of the posts, we observe either spherical-cap shaped drops with a mobile three-phase contact line or the formation of circular or angular drops with a pinned three-phase contact line. Drops of the latter class eventually evolve into a liquid film extending to the initial footprint of the drop and a shrinking cap-shaped drop sitting on the film. The drop evolution is controlled by the density and aspect ratio of the posts, while no influence of the orientation of the triangular posts on the contact line mobility becomes evident. Our experiments corroborate previous results of systematic numerical energy minimization, predicting that conditions for a spontaneous retraction of a wicking liquid film depend weakly on the orientation of the film edge relative to the micro-pattern. [ABSTRACT FROM AUTHOR]

In this study, we prepared a multi-layer Tb–Fe/Pt/Tb–Fe wire to develop a multi-level magnetic memory. By applying current, magnetizations of the Tb–Fe layers were inversion symmetrically switched by spin– orbit torque (SOT) generated from the middle Pt layer. Measurements of SOT showed that its efficiency had opposite polarities in the top and bottom Tb–Fe layers. The switching current density of the top and bottom Tb–Fe layers shifted in opposite directions under a uniform perpendicular magnetic field. Because the perpendicular magnetic field broke the inversion symmetry of SOT generated from the middle Pt layer, it could be used to control the switching current. Our results prove that the additional uniform and perpendicular magnetic field can enhance the controllability of the magnetization state in case of multi-level SOT-induced magnetization switching. [ABSTRACT FROM AUTHOR]

Topological photonics has recently opened up a promising frontier for electromagnetic wave and light manipulation and has made great progress from unique physical concepts to novel practical photonic devices. Numerous works have discussed the realizations of chiral topological photonic states in magnetic photonic crystals with broken time-reversal symmetry; however, limited reports have been discussed to the achievements of antichiral topological photonic states. In this Perspective, we review recent progress in antichiral topological photonic states in magnetic photonic systems for the basic concepts, properties, and applications. Additionally, we provide an outlook for emerging frontier topics, promising opportunities, fundamental challenges, and potential applications for antichiral magnetic topological photonics. [ABSTRACT FROM AUTHOR]

Nature‐inspired supramolecular self‐assemblies are attractive photocatalysts, but their quantum yields are limited by poor charge separation and transportation. A promising strategy for efficient charge transfer is to enhance the built‐in electric field by symmetry breaking. Herein, an unsymmetric protonation, N‐heterocyclic π‐conjugated anthrazoline‐based supramolecular photocatalyst SA‐DADK‐H+ was developed. The unsymmetric protonation breaks the initial structural symmetry of DADK, resulting in ca. 50‐fold increase in the molecular dipole, and facilitates efficient charge separation and transfer within SA‐DADK‐H+. The protonation process also creates numerous active sites for H2O adsorption, and serves as crucial proton relays, significantly improving the photocatalytic efficiency. Remarkably, SA‐DADK‐H+ exhibits an outstanding hydrogen evolution rate of 278.2 mmol g−1 h−1 and a remarkable apparent quantum efficiency of 25.1 % at 450 nm, placing it among the state‐of‐the‐art performances in organic semiconductor photocatalysts. Furthermore, the versatility of the unsymmetric protonation approach has been successfully applied to four other photocatalysts, enhancing their photocatalytic performance by 39 to 533 times. These findings highlight the considerable potential of unsymmetric protonation induced symmetry breaking strategy in tailoring supramolecular photocatalysts for efficient solar‐to‐fuel production. [ABSTRACT FROM AUTHOR]

Nature‐inspired supramolecular self‐assemblies are attractive photocatalysts, but their quantum yields are limited by poor charge separation and transportation. A promising strategy for efficient charge transfer is to enhance the built‐in electric field by symmetry breaking. Herein, an unsymmetric protonation, N‐heterocyclic π‐conjugated anthrazoline‐based supramolecular photocatalyst SA‐DADK‐H+ was developed. The unsymmetric protonation breaks the initial structural symmetry of DADK, resulting in ca. 50‐fold increase in the molecular dipole, and facilitates efficient charge separation and transfer within SA‐DADK‐H+. The protonation process also creates numerous active sites for H2O adsorption, and serves as crucial proton relays, significantly improving the photocatalytic efficiency. Remarkably, SA‐DADK‐H+ exhibits an outstanding hydrogen evolution rate of 278.2 mmol g−1 h−1 and a remarkable apparent quantum efficiency of 25.1 % at 450 nm, placing it among the state‐of‐the‐art performances in organic semiconductor photocatalysts. Furthermore, the versatility of the unsymmetric protonation approach has been successfully applied to four other photocatalysts, enhancing their photocatalytic performance by 39 to 533 times. These findings highlight the considerable potential of unsymmetric protonation induced symmetry breaking strategy in tailoring supramolecular photocatalysts for efficient solar‐to‐fuel production. [ABSTRACT FROM AUTHOR]

Polar materials, with intrinsic polarization effects, present significant potential for photo(electro)catalysis. However, the available natural polar materials in this field are quite scarce, due to the requisite structural non‐centrosymmetry. Defect engineering emerges as a promising avenue for tuning material symmetry, yet achieving the transition from centrosymmetric to non‐centrosymmetric structures and optimizing associated polarization effects remains challenging. This study demonstrates symmetry breaking in centrosymmetric 3R‐delafossite AgFeO2 through ordered oxygen defects introduction, yielding substantial macroscopic polarization. The transition is achieved via annealing post‐treatment of co‐precipitation‐hydrothermal AgFeO2 samples, with precision in oxygen defects control by tailoring annealing conditions. Experimental characterizations reveal ordered interstitial oxygen and disordered oxygen vacancies. Density functional theory calculations indicate a higher propensity for the formation of disordered oxygen vacancies compared to ordered ones, while ordered interstitial oxygen is more easily formed than its disordered counterpart. Resultant macroscopic polarization enhances photoelectrochemical performance, with photocurrent density increasing from 0.79 to 2.95 µA cm−2. Coupling macroscopic and spin polarization via external electric and magnetic fields further enhances photocurrent density (≈18.44 µA cm−2). These findings provide reference cases and strategies for applying polarization effects in photo(electro)catalytic technology. [ABSTRACT FROM AUTHOR]

Nonlinear biomolecular interactions on membranes drive membrane remodeling crucial for biological processes including chemotaxis, cytokinesis, and endocytosis. The complexity of biomolecular interactions, their redundancy, and the importance of spatiotemporal context in membrane organization impede understanding of the physical principles governing membrane mechanics. Developing a minimal in vitro system that mimics molecular signaling and membrane remodeling while maintaining physiological fidelity poses a major challenge. Inspired by chemotaxis, we reconstructed chemically regulated actin polymerization inside vesicles, guiding membrane self-organization. An external, undirected chemical input induced directed actin polymerization and membrane deformation uncorrelated with upstream biochemical cues, suggesting symmetry breaking. A biophysical model incorporating actin dynamics and membrane mechanics proposes that uneven actin distributions cause nonlinear membrane deformations, consistent with experimental findings. This protocellular system illuminates the interplay between actin dynamics and membrane shape during symmetry breaking, offering insights into chemotaxis and other cell biological processes. [ABSTRACT FROM AUTHOR]

Spontaneous mirror symmetry breaking by formation of chiral structures from achiral building blocks and emergent polar order are phenomena rarely observed in fluids. Separately, they have both been found in certain nematic liquid crystalline phases; however, they have never been observed simultaneously. Here, we report a heliconical arrangement of achiral molecules in the ferroelectric nematic phase. The phase is thus spontaneously both polar and chiral. Notably, the pitch of the heliconical structure is comparable to the wavelength of visible light, giving selective reflection controllable by temperature or application of a weak electric field. Despite bearing resemblance to the heliconical twist-bend nematic phase, this chiral ferroelectric nematic phase arises from electrical interactions that induce a noncollinear orientation of electric dipoles. [ABSTRACT FROM AUTHOR]

Bound state in the continuum (BIC), generally realized by structures with in-plane symmetry, has been under the spotlight in the control of the electromagnetic field. This Letter presents a terahertz metasurface that possesses broken in-plane symmetry for exciting BIC. The switch from a BIC to a quasi-BIC can be achieved through parameter modulation. According to multipolar decomposition, the BIC is constructed by the destructive interference of far-field radiation originating from the electric dipole and magnetic quadrupole. More importantly, considering that the metal material has finite conductivity, we analyze the relationship between radiation and non-radiation losses, based on the time domain coupled mode theory, which provides substantial theoretical support for the investigation of BIC phenomena. Furthermore, the proposed metasurface exciting quasi-BIC is highly sensitive to the changes in the dielectric environment, resulting in a high sensitivity of 135 GHz/RIU and a distinction between sucrose and glucose with the same solid content. As a result, our research provides a theoretical explanation of the evolution of BIC excited by the structure with broken in-plane symmetry and promotes the development of the high-performance meta-device used for sensing. [ABSTRACT FROM AUTHOR]

Symmetry is a fundamental concept in physics, and recent research has shown that it can also play an important role in materials science, although the term may have different meanings in the two fields. The advent of low-dimensional materials provides opportunities to manipulate their properties through symmetry engineering, opening up new avenues for theoretical research and advanced device development. This review summarizes the application of symmetry from particle physics to material systems and highlights the latest research progress in symmetry breaking engineering of low-dimensional materials. [Display omitted] Symmetry is a significant concept that has played a fundamental role in various fields of science, including particle physics, condensed matter physics, and materials science. Symmetry has contributed to the advancement of our understanding of phenomena such as the discovery of new particles, spintronics, superconductivity, and the modulation of material properties. The principle of symmetry continues to guide progress and unification across various scientific disciplines. The emergence of low-dimensional materials (LDMs) has significantly expanded the materials landscape, enabling potential for the modulation of their properties through symmetry engineering. This has opened up new avenues for theoretical research and advanced device development. This review summarizes the application of symmetry in different materials systems and highlights the latest research progress in symmetry breaking engineering of LDMs. The benefits of incorporating symmetry principles from physics into materials science are also discussed. [ABSTRACT FROM AUTHOR]

Multi-band circular dichroism (CD) response and tunability on the chiral metasurface are crucial for this device's applications in sensing and detection. This work proposes a dual-band CD Au-CaF2-Au dimer elliptical metasurface absorber, where chiroptical sensing is realized by breaking the geometric symmetry between two ellipses. The proposed metasurface can achieve high CD values of 0.8 and −0.74 for the dual-band within the 3–5 μm region, and the CD values can be manipulated by independently adjusting the geometric parameters of the metasurface. Furthermore, a slotted nanocircuit is introduced onto the metasurface to enhance its tunability by manipulating the geometry parameter in the design process, and the related mechanism is explained using an equivalent circuit model. The simulation of the sensing model revealed that the slotted nanocircuit enhances the sensor's tunability and significantly improves its bandwidth and sensitivity, achieving peak enhancements at approximately 753 nm and 1311 nm/RIU, respectively. Due to the strong dual-band positive (and negative) responses of the CD values, flexible wavelength tunability, and nonlinear sensitivity enhancement, this design provides a new approach for the development and application of mid-infrared chiroptical devices. [ABSTRACT FROM AUTHOR]

The probability density distribution is analyzed in a topological insulator (TI) slab of finite thickness, where the bulk and surface states are allowed to hybridize. By using an effective continuum Hamiltonian approach as a theoretical framework, the wave functions are analytically obtained for each state near the Γ$\Gamma$‐point. The results reveal that, under particular combinations of the hybridized bulk and surface states, the spatial symmetry of the electronic probability density with respect to the center of the slab can be spontaneously broken. This symmetry breaking arises as a combination of the parity of the solutions, their spin projection, and the material constants. [ABSTRACT FROM AUTHOR]

We study the behaviour of global minimizers of a continuum Landau–de Gennes energy functional for nematic liquid crystals, in three-dimensional axially symmetric domains diffeomorphic to a ball (a nematic droplet) and in a restricted class of S 1 -equivariant configurations. It is known from our previous paper (Dipasquale et al. in J Funct Anal 286:110314, 2024) that, assuming smooth and uniaxial (e.g. homeotropic) boundary conditions and a physically relevant norm constraint in the interior (Lyuksyutov constraint), minimizing configurations are either of torus or of split type. Here, starting from a nematic droplet with the homeotropic boundary condition, we show how singular (split) solutions or smooth (torus) solutions (or even both) for the Euler–Lagrange equations do appear as energy minimizers by suitably deforming either the domain or the boundary data. As a consequence, we derive symmetry breaking results for the minimization among all competitors. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: The crystallization of chiral molecules is of great significance to understand the origin and evolution of hierarchical chirality and reveal the relationships between structural chirality and circularly polarized luminescence (CPL) activity. Here, we report two pairs of chiral metal–organic frameworks (MOFs) (DCF‐17/LCF‐17, DCF‐18/LCF‐18) by utilizing tetradentate ligands tetra(3‐imidazoylphenyl)ethylene (TIPE) and 4,4'‐[4',5'‐bis[4‐(4‐pyridinyl)phenyl][1,1':2',1"‐terphenyl]‐4,4"‐diyl]bis[pyridine] (TPPP) as linkers. It can be observed that the spontaneous resolution of the achiral ligands is converted into the induced resolution, and the ligands form the absolute configuration by using enantiopure camphoric acid (cam) as chiral induced reagent (CIR). As a result, the racemate MOFs can be driven to generate absolute homochiral crystallization. Another two achiral MOFs [Cd(D‐cam)(TPPP)0.5] (AF‐1, AF = achiral framework) and [Cd(L‐cam)(TPPP)0.5] (AF‐2) were prepared. The position disorder of D/L‐cam skeleton causes the generation of nonchiralization, further leading to disappearance of symmetry breaking of TPPP. For the perspective of structure, this is the first report which reveals the chiral transfer and nonchiralization between chiral induced agents and tetradentate ligands. Besides, DCF‐17 and LCF‐17 show CPL with luminescence dissymmetry factor (glum) of –1.0 × 10‐2 and +9.2 × 10–3, respectively. This work provides the useful evidences to reveal the induced chiral crystallization and the construction of CPL‐active crystalline materials. [ABSTRACT FROM AUTHOR]

Spatiotemporal symmetry breaking induced the coexistence of ferroelectric and magnetic order phases. To realize multiferroic orders at room temperature in BiFeO 3 ceramics, structure symmetry modulation was introduced by doping Tb, where the R 3 c - P bnm phase transition and unlocking ferromagnetism by destroying the cycloidal spin structure were observed. The phase structure, its fraction, and properties were investigated, including ferroelectric polarization, magnetic orders, dielectric trait, and optical absorption. The electronic structure in doped ceramics can support the parasitic ferromagnetic phase and robust ferroelectric order. The energy band is composed of the hybridization of the O-2 p state and Fe-3 d states, where charge transfer occurs from the O-2 p valence band to the Fe-3 d conduction band, driven by the localized Coulomb repulsion between d - f electrons. The present work provides insight into the regulation of the multiferroic traits of BiFeO 3 from the electronic structure. [ABSTRACT FROM AUTHOR]

We study the Schrödinger–Poisson–Slater equation where p ∈ (2 , 3) , λ > 0 , V (x) ∈ C (R 3 , R +) and I 2 (x) : = (4 π | x |) - 1 is the Newtonian potential. We prove the nonexistence of nontrivial solutions, existence of positive nonradial (and radial) ground-state solutions, and mountain-pass-type solutions to (SPS), depending on the values of parameters p and λ . To our knowledge, this is the first study of the existence of ground-state solutions at positive energy levels when p ∈ (2 , 3) . Furthermore, we show that a symmetry breaking occurs for the ground-state solutions, which is a purely nonlocal phenomenon that cannot be observed in the local prototype case. [ABSTRACT FROM AUTHOR]

Time crystals (TCs) are many-body systems that display spontaneous breaking of time translation symmetry. We demonstrate a TC by using driven-dissipative condensates of microcavity exciton-polaritons, spontaneously formed from an incoherent particle bath. The TC phases are controlled by the power of a continuous-wave nonresonant optical drive exciting the condensate and the interaction with cavity phonons. Those phases are, for increasing power, Larmor-like precession of the condensate pseudo-spins—a signature of continuous TC; locking of the frequency of precession to self-sustained coherent phonons—stabilized TC; and doubling of TC’s period by phonons—a discrete TC with continuous excitation. These results establish microcavity polaritons as a platform for the investigation of time-broken symmetry in nonhermitian systems. [ABSTRACT FROM AUTHOR]

A symmetry-breaking in rotational spatial pattern of quasi-periodic solitary oscillations is revealed with tomography measurement of plasma emission, simultaneously with background asymmetry in stationary plasma structure. Although the oscillatory pattern deformation is a natural course in the presence of asymmetry, elaborate analyses identify existence unfeatured nonlinear effects of the background asymmetry, i.e., its nonlinear couplings with harmonic modes of rotational symmetry, to produce non-harmonic mode to break the symmetry and cause the oscillatory pattern to be chaotic. The findings suggest the unrecognized fundamental process for plasmas to be turbulent. [ABSTRACT FROM AUTHOR]

Spin–orbit torque (SOT) induced magnetization switching in an energy-efficient and fast way has exhibited great application potential in next generation magnetic memories. However, a complicated layer structure is usually needed to break the mirror symmetry for achieving SOT induced field-free magnetization switching. Here, we report a sizeable field-free magnetization switching through large out-of-plane SOT in the chemically disordered A1-CoxPt100−x single layers within a Co composition range from 40 to 70. The largest absolute out-of-plane SOT efficiency is found at its equiatomic concentration (Co50Pt50), in which the absolute in-plane SOT efficiency also reaches the maximum value, 22.7 Oe/107 A cm−2. We further demonstrate that the symmetry dependence of field-free magnetization switching might arise from the chemically ordered L11-CoPt nano-scaled platelets formed during the sample deposition. We expect that the experimental identification of the field-free magnetization switching in the ferromagnetic CoPt single layer is desirable to simplify the applications of spin logic devices. [ABSTRACT FROM AUTHOR]

This Review elucidates the regulatory principles of random monoallelic expression by focusing on two well-studied examples: the X-chromosome inactivation regulator Xist and the olfactory receptor gene family. Although the choice of a single X chromosome or olfactory receptor occurs in different developmental contexts, common gene regulatory principles guide monoallelic expression in both systems. In both cases, an event breaks the symmetry between genetically and epigenetically identical copies of the gene, leading to the expression of one single random allele, stabilized through negative feedback control. Although many regulatory steps that govern the establishment and maintenance of monoallelic expression have been identified, key pieces of the puzzle are still missing. We provide an overview of the current knowledge and models for the monoallelic expression of Xist and olfactory receptors. We discuss their similarities and differences, and highlight open questions and approaches that could guide the study of other monoallelically expressed genes. [ABSTRACT FROM AUTHOR]

The magnetic properties of the trinuclear Schiff base complexes M2UL7 (MII=Co, Ni, Cu; L7=N,N'‐bis(3‐hydroxysalicylidene)‐2,2‐dimethyl‐1,3‐propanediamine), exhibiting the [M(μ‐O)2]2U core structure (3d‐5 f‐3d subsystem), have been investigated theoretically using scalar relativistic ZORA/DFT computations combined with the broken symmetry (BS) approach. The calculated coupling constants JMU between the adjacent M1−U and M2−U agree with the observed ferromagnetic (Ferro) character observed in the case of the Cu2UL7 complex, the antiferromagnetic (AF) character of the Ni2UL7 one is consistent with the experimentally observed AF behaviour for Co2UL7. The structural parameters, in particular the M−U distances and the M−Ob−U angles, as well as the electronic factors driving the superexchange couplings are discussed. The bond orders and the magnetic molecular orbital analyses reveal that the U(5 f) covalent contribution to the bonding within the M−O−U coordination is more important in the Co2UL7 and Ni2UL7 complexes than in the Cu2UL7 congener, thus favouring AF coupling between the transition metal and the uranium magnetic centers, in the first complexes. The analyses are supported by the study of the mixed ZnMUL7 and M2ThL7 systems, where the CoII (3d7) and NiII (3d8) paramagnetic ions are replaced by the diamagnetic ZnII(3d10) one, whereas in the second complex, the UIV(5f2) paramagnetic center is replaced by the diamagnetic ThIV(5f0) one. The Natural Populations Analyses confirm the crucial role of spin delocalization that is at work in favour of the AF vs. Ferro magnetic character of the M−U−M (M=Ni, Co) and Cu−U−Cu coordination, respectively. [ABSTRACT FROM AUTHOR]

We consider two-dimensional, non-relativistic quantum system with asymptotically straight soft waveguide. We show that the local deformation of the symmetric waveguide can lead to the emerging of the embedded eigenvalues living in the continuous spectrum. The main problem of this paper is devoted to the analysis of weak perturbation of the symmetric system. We show that the original embedded eigenvalues turn to the second sheet of the resolvent analytic continuation and constitute resonances. We describe the asymptotics of the real and imaginary components of the complex resonant pole depending on deformation. Finally, we generalize the problem to three dimensional system equipped with a soft layer. [ABSTRACT FROM AUTHOR]

Collective cell dynamics is essential for tissue morphogenesis and various biological functions. However, it remains incompletely understood how mechanical forces and chemical signaling are integrated to direct collective cell behaviors underlying tissue morphogenesis. Here, we propose a three-dimensional (3D) mechanochemical theory accounting for biochemical reaction-diffusion and cellular mechanotransduction to investigate the dynamics of multicellular lumens. We show that the interplay between biochemical signaling and mechanics can trigger either pitchfork or Hopf bifurcation to induce diverse static mechanochemical patterns or generate oscillations with multiple modes both involving marked mechanical deformations in lumens. We uncover the crucial role of mechanochemical feedback in emerging morphodynamics and identify the evolution and morphogenetic functions of hierarchical topological defects including cell-level hexatic defects and tissue-level orientational defects. Our theory captures the common mechanochemical traits of collective dynamics observed in experiments and could provide a mechanistic context for understanding morphological symmetry breaking in 3D lumen-like tissues. [ABSTRACT FROM AUTHOR]

We examine the model of two-dimensional quadratic gravity as a consequence of symmetry breaking within the framework of background field (BF) theory. This theory is essentially an extension of BF theory, introducing an additional polynomial term that operates on both the gauge and background fields. We analyze the theory using the Dirac and Faddeev–Jackiw procedures, determining the form of the gauge transformation, the full structure of the constraints, the counting of degrees of freedom, and the generalized Faddeev–Jackiw brackets. Additionally, we demonstrate the coincidence of the Faddeev–Jackiw and Dirac's brackets. Finally, we provide some remarks and discuss prospects. [ABSTRACT FROM AUTHOR]

Using a novel optimization procedure, it has been shown that the Helically Symmetric eXperiment stellarator can be optimized for reduced trapped-electron-mode (TEM) instability [Gerard et al., Nucl. Fusion 63, (2023) 056004]. Presently, with a set of 563 experimental candidate configurations, gyrokinetic simulations are performed to investigate the efficacy of available energy E A , quasi-helical symmetry, and flux-surface shaping parameters as metrics for TEM stabilization. It is found that lower values of E A correlate with reduced growth rates, but only when separate flux-surface shaping regimes are considered. Moreover, configurations with improved quasi-helical symmetry demonstrate a similar reduction in growth rates and less scatter compared to E A . Regarding flux-surface shaping, a set of helical shaping parameters is introduced that show increased elongation is strongly correlated with reduced TEM growth rates, however, only when the quasi-helical symmetry is preserved. Using a newly derived velocity-space-averaged TEM resonance operator, these trends are analyzed to provide insights into the physical mechanism of the observed stabilization. For elongation, stabilization is attributed to geometric effects that reduce the destabilizing particle drifts across the magnetic field. Regarding quasi-helical symmetry, the TEM resonance in the maximally resonant trapping well is shown to increase as the quasi-helical symmetry is broken, and breaking quasi-helical symmetry increases the prevalence of highly resonant trapping wells. While these results demonstrate the limitations of using any single metric as a linear TEM proxy, it is shown that quasi-helical symmetry and plasma elongation are highly effective metrics for reducing TEM growth rates in helical equilibria. [ABSTRACT FROM AUTHOR]

We define two types of Witten's zeta functions according to Cartan's classification of compact symmetric spaces. The type II is the original Witten zeta function constructed by means of irreducible representations of the simple compact Lie group U. The type I Witten zeta functions, we introduce here, are related to the irreducible spherical representations of U. They arise in the harmonic analysis on compact symmetric spaces of the form U/K, where K is the maximal subgroup of U. To construct the type I zeta function we calculate the partition functions of 2d YM theory with broken gauge symmetry using the Migdal–Witten approach. We prove that for the rank one symmetric spaces the generating series for the values of the type I functions with integer arguments can be defined in terms of the generating series of the Riemann zeta-function. [ABSTRACT FROM AUTHOR]

The Koper model is a prototype system with two slow variables and one fast variable that possesses small-amplitude oscillations (SAOs), large-amplitude oscillations (LAOs), and mixed-mode oscillations (MMOs). In this article, we study a pair of identical Koper oscillators that are symmetrically coupled. Strong symmetry breaking rhythms are presented of the types SAO–LAO, SAO–MMO, LAO–MMO, and MMO–MMO, in which the oscillators simultaneously exhibit rhythms of different types. We identify the key folded nodes that serve as the primary mechanisms responsible for the strong nature of the symmetry breaking. The maximal canards of these folded nodes guide the orbits through the neighborhoods of these key points. For all of the strong symmetry breaking rhythms we present, the rhythms exhibited by the two oscillators are separated by maximal canards in the phase space of the oscillator. [ABSTRACT FROM AUTHOR]

Waddington envisioned stem cell differentiation as a marble rolling down a hill, passing through hierarchically branched valleys representing the cell's temporal state. The terminal valleys at the bottom of the hill indicate the possible committed cells of the multicellular organism. Although originally proposed as a metaphor, Waddington's hypothesis establishes the fundamental principles for characterizing the differentiation process as a dynamic system: the generated equilibrium points must exhibit hierarchical branching, robustness to perturbations (homeorhesis), and produce the appropriate number of cells for each cell type. This article aims to capture these characteristics using a mathematical model based on two fundamental hypotheses. First, it is assumed that the gene regulatory network consists of hierarchically coupled subnetworks of genes (modules), each modeled as a dynamical system exhibiting supercritical pitchfork or cusp bifurcation. Second, the gene modules are spatiotemporally regulated by feedback mechanisms originating from epigenetic factors. Analytical and numerical results show that the proposed model exhibits self-organized multistability with hierarchical branching. Moreover, these branches of equilibrium points are robust to perturbations, and the number of different cells produced can be determined by the system parameters. [ABSTRACT FROM AUTHOR]

The thyristor converter is a core equipment for AC/DC hybrid power grids of high‐voltage direct current (HVDC) where overheating does harm to its reliability. In reality, overheating is closely related to the broken three‐phase symmetry when the AC side is disturbed. Particularly, when commutation failures occur, the valve forced to reconduct will suffer from severe short‐circuit current for a long period, risking the overheating damage. Therefore, the accurate measurement of valve current is fundamental to acquire valve temperature. This paper adopts a real‐time virtual measurement scheme, which is based on temporal features of the converter terminal current, to calculate valve current fundamental for the calculation of valve loss under the transient state. Then, an equivalent circuit model is built based on the actual heat‐flow path of the converter valve, considering the high thermal sensitivity of the heat source material layer. Next, a monitoring system for transient valve temperature is established. Finally, the proposed method is tested in CIGRE HVDC benchmark model. The simulation results indicate that the proposed method can reflect the actual valve state, and model the actual heat transfer process more accurately compared to the Foster network, which can support the basic configuration of the overheat protection. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC. [ABSTRACT FROM AUTHOR]

This current research explores a new generalized q-deformed sinh -Gordon equation. The governing equation is frequently used to model plasma-based solutions, complex optical science, photonic transmission systems, ultrashort burst lasers to identify objects and other theoretical sciences. The work consists of two goals. Firstly, analytically using the modified extended tanh function approach. Precise results for the derived equation are obtained that could be used to simulate physical systems with broken symmetries and to consider events involving amplification or dissipation. Secondly, with the help of a numerical approach investigate the error function between the q-demormed terms. Several figures have been included to illustrate the different optical solitons propagation patterns. [ABSTRACT FROM AUTHOR]

Dynamic behaviors of delaminated nanofilms on substrates are universal and essential phenomena in nanoelectromechanical systems (NEMS). Van der Waals (vdWs) interactions play an important role in the dynamic behaviors of delaminated nanofilms on substrates due to the interaction distances at nanoscale or even sub-nanoscale in NEMS. Therefore, it is interesting yet challenging to reveal the effect of intermolecular vdWs interactions on dynamic behaviors of delaminated nanofilms on substrates. By considering sub-nanoscale dynamic boundary effects induced by intermolecular vdWs interactions, a parametric excitation nonlinear vibration model for dynamic behaviors of delaminated nanofilms partly bonded on substrates is established. Effects of sub-nanoscale vdWs dynamic boundaries on transient and steady-state responses of dynamically delaminated nanofilms on substrates are analyzed. The sub-nanoscale vdWs dynamic boundaries lead the dynamic responses of delaminated-nanofilm/substrate systems very sensitive to initial conditions. The bending and shifting frequency response results demonstrated that the system nonlinearities can be greatly amplified by the sub-nanoscale vdWs dynamic boundary effect. Moreover, the spontaneous symmetry breaking and violent interfacial tearing/healing phenomena can be also triggered in the systems. Based on spontaneous symmetry breaking, a trans-scale relationship between nanofilm equilibrium positions and intermolecular vdWs interactions is established, which can provide a promising route for trans-scale measurements of molecular scale interfacial interactions. The work can also be helpful for the dynamic design of resonant NEMS devices based on nanofilm/substrate systems. [ABSTRACT FROM AUTHOR]

We demonstrate that black hole evaporation can be modeled as a process where one symmetry of the system is spontaneously broken continuously. We then identify three free parameters of the system. The sign of one of the free parameters governs whether the particles emitted by the black hole are fermions or bosons. The present model explains why the black hole evaporation process is so universal. Interestingly, this universality emerges naturally inside certain modifications of gravity. [ABSTRACT FROM AUTHOR]