Symmetry Of States Research Articles

Chiral Cation Doping for Modulating Structural Symmetry of 2D Perovskites.

Cation mixing in two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) structures represents an important degree of freedom for modifying organic templating effects and tailoring inorganic structures. However, the limited number of known cation-mixed 2D HOIP systems generally employ a 1:1 cation ratio for stabilizing the 2D perovskite structure. Here, we demonstrate a chiral-chiral mixed-cation system wherein a controlled small amount (<10%) of chiral cation S-2-MeBA (S-2-MeBA = (S)-(-)-2-methylbutylammonium) can be doped into (S-BrMBA)2PbI4 (S-BrMBA = (S)-(-)-4-bromo-α-methylbenzylammonium), modulating the structural symmetry from a higher symmetry (C2) to the lowest symmetry state (P1). This structural change occurs when the concentration of S-2-MeBA, measured by solution nuclear magnetic resonance, exceeds a critical level─specifically, for 1.4 ± 0.6%, the structure remains as C2, whereas 3.9 ± 1.4% substitution induces the structure change to P1 (this structure is stable to ∼7% substitution). Atomic occupancy analysis suggests that one specific S-BrMBA cation site is preferentially substituted by S-2-MeBA in the unit cell. Density functional theory calculations indicate that the spin splitting along different k-paths can be modulated by cation doping. A true circular dichroism band at the exciton energy of the 3.9% doping phase shows polarity inversion and a ∼45 meV blue shift of the Cotton-effect-type line-shape relative to (S-BrMBA)2PbI4. A trend toward suppressed melting temperature with higher doping concentration is also noted. The chiral cation doping system and the associated doping-concentration-induced structural transition provide a material design strategy for modulating and enhancing those emergent properties that are sensitive to different types of symmetry breaking.

Influence of structural defects on charge density waves in 1T-TaS2

The influence of intrinsic defects of 1T-TaS2 on charge density waves (CDWs) is studied using scanning tunneling microscopy and spectroscopy (STM, STS), angle-resolved photoelectron spectroscopy (ARPES), and density functional theory (DFT). We identify several types of structural defects and find that most have a local character limited to a single CDW site, with a single exception which effectively behaves as a dopant, leading to band-bending and affecting multiple neighboring sites. While only one type of defect can be observed by STM topographic imaging, all defects are easily resolved in STS mapping. Our results indicate modulation of the Mott band gap commensurate with the CDW and breaking of the three-fold symmetry of electronic states. DFT calculations (with included Coulomb interactions) are used to investigate the electronic structure, focusing on both sulfur vacancy and oxygen-sulfur substitution. The sulfur vacancy system, characterized with a metallic behavior, is identified as the origin of one of the experimentally observed defects. Additionally, the effect of oxidation of 1T-TaS2 depends on the substitution site, leading to the heterogeneity of electronic properties.

Tunable voltage polarity-dependent resistive switching characteristics by interface energy barrier modulation in ceria-based bilayer memristors for neuromorphic computing

Synaptic characteristics with tunable dependence on the voltage polarity are demonstrated in ceria (CeO2) and Gd-doped ceria (GDC) bilayer memristors with respect to their stacking orders. Both Pt/GDC/CeO2/Pt and Pt/CeO2/GDC/Pt memristors with different oxide stacking orders exhibit analog, linear, and symmetric synaptic weights for potentiation and depression, paired-pulse facilitation, and short- and long-term plasticity (STP and LTP, respectively). Potentiation and depression behaviors are highly linear and symmetric thanks to the stacking of more oxygen-deficient GDC layer with CeO2, which facilitates the redistribution of oxygen vacancies for analog resistance change. These memristors have opposite dependence of synaptic weight updates on the polarity of potentiation and depression voltages for the stacking order of CeO2 and GDC, which are consistently interpreted by voltage-driven energy barrier modulation at the interface between CeO2 and GDC or with Pt electrodes via oxygen vacancy redistribution. Recognition simulation with modified handwritten digits patterns using a two-layer perceptron neural network exhibits accuracy of approximately 88% with achieved dynamic range, linearity, symmetry, and precision states. These synaptic characteristics are also demonstrated in a 32 × 32 crossbar array of GDC-top memristors. This verifies the potential of bilayer memristors for application in artificial synapse networks in neuromorphic computing systems.

On an intercritical log-modified nonlinear Schrödinger equation in two spatial dimensions

We consider a dispersive equation of Schrödinger type with a nonlinearity slightly larger than cubic by a logarithmic factor. This equation is supposed to be an effective model for stable two dimensional quantum droplets with Lee-Huang-Yang correction. Mathematically, it is seen to be mass supercritical and energy subcritical with a sign-indefinite nonlinearity. For the corresponding initial value problem, we prove global in-time existence of strong solutions in the energy space. Furthermore, we prove the existence and uniqueness (up to symmetries) of nonlinear ground states and the orbital stability of the set of energy minimizers. We also show that for the corresponding model in 1D a stronger stability result is available.

Quartz-in-garnet (QuiG) under pressure: insights from in situ Raman spectroscopy

Elastic geothermobarometry relies on the contrast between the thermal expansion and compressibility of a mineral inclusion and its surrounding host, leading to a residual pressure in the inclusion (Pinc) that may differ significantly from the external pressure. Quartz-in-garnet (QuiG) inclusion-host systems are widely used in elastic geothermobarometry to estimate the inclusion entrapment conditions and thus the rock petrogenesis. To elucidate the behaviour of QuiG at elevated pressures, we have applied in situ high-pressure Raman spectroscopy on three QuiG samples having Pinc close to 0 GPa at room temperature. We demonstrate that upon pressure increase, the garnet host acts as a shield to the softer quartz inclusion. Consequently, the Pinc increases with a smaller rate compared to that of the external pressure. Up to 2.5 GPa, the evolution of Pinc calculated from the Raman data agrees very well with prediction from the equations of state. Furthermore, the behaviour of a quartz inclusion in a relatively thin host specimen was explored up to external pressures of 7 GPa. Our results indicate that the shielding effect of the host (even if only partial because of the insufficient distance between the inclusion and the host surface) can keep the quartz inclusions thermodynamically stable up to about 2 GPa above the equilibrium quartz–coesite phase boundary. In addition, the partial shielding leads to the development of anisotropic symmetry-breaking stresses and quartz inclusions undergo a reversible crossover to a lower symmetry state. Given that the presence of non-hydrostatic stress may influence the quartz-to-coesite phase boundary, especially at elevated temperatures relevant for entrapment conditions, our results emphasize the importance of elastic anisotropy of QuiG systems, especially when quartz inclusion entrapment occurs under conditions close to the coesite stability field.

On the Symmetry, Electronic Properties, and Possible Metallic States in NASICON-Structured A4V2(PO4)3 (A = Li, Na, K) Phosphates.

In this work, the electronic structure and properties of NASICON-structured A4V2(PO4)3, where A = Li, Na, K were studied using hybrid density functional theory calculations. The symmetries were analyzed using a group theoretical approach, and the band structures were examined by the atom and orbital projected density of states analyses. Li4V2(PO4)3 and Na4V2(PO4)3 adopted monoclinic structures with the C2 space group and averaged vanadium oxidation states of V+2.5 in the ground state, whereas K4V2(PO4)3 adopted a monoclinic structure with the C2 space group and mixed vanadium oxidation states V+2/V+3 in the ground state. The mixed oxidation state is the least stable state in Na4V2(PO4)3 and Li4V2(PO4)3. Symmetry increases in Li4V2(PO4)3 and Na4V2(PO4)3 led to the appearance of a metallic state that was independent of the vanadium oxidation states (except for the averaged oxidation state R32 Na4V2(PO4)3). On the other hand, K4V2(PO4)3 retained a small band gap in all studied configurations. These results might provide valuable guidance for crystallography and electronic structure investigations for this important class of materials.

Transitional cluster dynamics in a model for delay-coupled chemical oscillators.

Cluster synchronization is a fundamental phenomenon in systems of coupled oscillators. Here, we investigate clustering patterns that emerge in a unidirectional ring of four delay-coupled electrochemical oscillators. A voltage parameter in the experimental setup controls the onset of oscillations via a Hopf bifurcation. For a smaller voltage, the oscillators exhibit simple, so-called primary, clustering patterns, where all phase differences between each set of coupled oscillators are identical. However, upon increasing the voltage, secondary states, where phase differences differ, are detected, in addition to the primary states. Previous work on this system saw the development of a mathematical model that explained how the existence, stability, and common frequency of the experimentally observed cluster states could be accurately controlled by the delay time of the coupling. In this study, we revisit the mathematical model of the electrochemical oscillators in order to address open questions by means of bifurcation analysis. Our analysis reveals how the stable cluster states, corresponding to experimental observations, lose their stability via an assortment of bifurcation types. The analysis further reveals complex interconnectedness between branches of different cluster types. We find that each secondary state provides a continuous transition between certain primary states. These connections are explained by studying the phase space and parameter symmetries of the respective states. Furthermore, we show that it is only for a larger value of the voltage parameter that the branches of secondary states develop intervals of stability. For a smaller voltage, all the branches of secondary states are completely unstable and are, therefore, hidden to experimentalists.

Twin Metamaterials: Inversion Symmetry, Reverse Magnetism, and Interface States

Artificial magnetism can be realized with metamaterials in high frequencies, which are important for many applications. However, such metamaterials need to be constructed with metal or high-relative-permittivity dielectric and thus may exhibit absorption loss. Here, we theoretically propose and experimentally demonstrate a pair of magnetic metamaterials that have inversion symmetry and are generated from a parent photonic crystal with low-relative-permittivity dielectric (${\ensuremath{\epsilon}}_{r}&lt;4$). Interestingly, one metamaterial is paramagnetic, the other is diamagnetic, and the product of their effective relative permeabilities is close to 1 (${\ensuremath{\mu}}_{e1}&gt;1$, ${\ensuremath{\mu}}_{e2}&lt;1$, ${\ensuremath{\mu}}_{e1}{\ensuremath{\mu}}_{e2}\ensuremath{\approx}1$) in a broad frequency range. As a result, fascinating effects, such as wide-angle and wide-frequency near-perfect transmission and interface states, are observed in the systems.

Collisional excitation of methyl (iso)cyanide by He atoms: rate coefficients and isomerism effects

ABSTRACT Among all closed-shell species observed in molecular clouds, molecules with C3v symmetry play a crucial role, as their rotational spectroscopy allows them to behave as a gas thermometer. In the interstellar medium, methyl cyanide (CH3CN) is the second most abundant of those (after ammonia, NH3). Its isomer, methyl isocyanide (CH3NC), is less abundant but has been detected in many astrophysical sources. In order to assess their absolute and relative abundances, it is essential to understand their collisional excitation properties. This paper reports the calculation of rate coefficients for rotational excitation of CH3CN and CH3NC molecules with He atoms, from low (5 K) to moderate (100 K) temperatures. We include the first 74 and 66 rotational states of both para and ortho symmetries of CH3CN and CH3NC, respectively. A propensity for Δj = 2 transitions is observed in the case of CH3CN-He collisions, whereas in the case of CH3NC-He a propensity for Δj = 1 is observed for transitions involving low values of j and at low temperatures, a propensity for Δj = 2 is observed for higher values of j and at high temperatures. A comparison of rate coefficients shows differences up to a factor of 3, depending on temperature and on the ortho/para symmetries for dominant transitions. This confirms the importance of having specific collisional data for each isomer. We also examined the effect of these new rates on the CH3CN and CH3NC excitation in molecular clouds by performing radiative transfer calculations of the excitation and brightness temperatures for several detected lines.

Spin Susceptibility of a J = 3/2 Superconductor

We discuss the spin susceptibility of superconductors in which a Cooper pair consists of two electrons having the angular momentum J=3/2 due to strong spin-orbit interactions. The susceptibility is calculated analytically for pseudospin quintet states in a cubic superconductor within the linear response to a Zeeman field. The susceptibility for $A_{1g}$ symmetry states is isotropic in real space. For $E_g$ and $T_{2g}$ symmetry cases, the results depend sensitively on choices of order parameter. The susceptibility is isotropic for a $T_{2g}$ symmetry state, whereas it becomes anisotropic for an $E_{g} $ symmetry state. We also find in a $T_{2g}$ state that the susceptibility tensor has off-diagonal elements.

Exciton-exciton transitions involving strongly bound excitons: An ab initio approach

In pump-probe spectroscopy, two laser pulses are employed to garner dynamical information from the sample of interest. The pump initiates the optical process by exciting a portion of the sample from the electronic ground state to an accessible electronic excited state, an exciton. Thereafter, the probe interacts with the already excited sample. The change in the absorbance after pump provides information on transitions between the excited states and their dynamics. In this work we study these exciton-exciton transitions by means of an ab initio real time propagation scheme based on dynamical Berry phase formulation. The results are then analyzed taking advantage of a Fermi-golden rule approach formulated in the excitonic basis-set and in terms of the symmetries of the excitonic states. Using bulk LiF and 2D hBN as two prototype materials, we discuss the selection rules for transitions involving strongly bound excitons, for which the hydrogen model cannot be used.

Structural design of triangular core–shell nanowires for sensing polarized mid-infrared light

Manipulating and detecting polarization states of light plays an important role in developing technology in various fields, such as remote sensing, medical phototherapy, and quantum information. However, polarization control in mid-infrared (mid-IR) wavelengths, especially longer than 10 µm, is obstructed by the limitation of material properties. Searching for materials and designing structures that respond to polarized light in this spectral range is still challenging. In this work, triangular core–shell AlGaAs/GaAs nanowires are numerically studied using the finite difference method. The effects of the core shift and rotating angle on the absorption coefficients are concentrated. Highly anisotropic absorption of polarized light in the mid-IR range is found when the core shifts upward and downward. Our results show that this anisotropic property is influenced by the symmetries of electron quantum states confined in the system. Broadband absorption wavelengths from 9.7 to 17.5 µm are unexpectedly found in the structure with appropriate system size. Our finding indicates that triangular core–shell nanowires are a potential platform for next-generation photonic devices capable of manipulating polarized light in a wide range of mid-IR wavelengths.

Strong nonreciprocal thermal radiation based on topological edge state in one-dimensional photonic crystal with Weyl semimetal

Kirchhoff's law is the theoretical basis for characterizing thermal radiation. The construction of nonreciprocal thermal radiation needs to violate Kirchhoff's law, in which its existing methods usually utilize the magneto-optical effect with an external magnetic field. However, natural materials' relatively weak magneto-optical response in the thermal wavelength range requires a strong or moderate magnetic field. Fortunately, the unique topologically nontrivial electronic state and inherent time-reversal symmetry breaking of Weyl semimetals can exhibit highly unusual and extremely large gyrotropic optical responses in the mid-infrared band without an external magnetic field, which provides a new way to violate Kirchhoff's law. This work theoretically investigates the nonreciprocity of a multilayer structure in which a Weyl semimetal is embedded in two one-dimensional photonic crystals. The results show that the absorptivity and emissivity of the structure almost completely violate Kirchhoff's law over a broad range of angles (7° ∼ 51°) and frequencies (56.4 THz ∼ 65.3 THz) without any external magnetic field. We also discuss the effects of the incident angle, the axial vector of the Weyl semimetal, and the thickness of the Weyl semimetal on the characteristics of nonreciprocal thermal radiation. Furthermore, the electric field distribution reveals that the structurally excited topological edge states significantly enhance the local electric field in the vicinity of the Weyl semimetal, providing positive conditions for the realization of perfect strong nonreciprocal thermal radiation. We hope this work may contribute to the design of strong nonreciprocal thermal emitters.

Controlling inversion and time-reversal symmetries by subcycle pulses in the one-dimensional extended Hubbard model

Owning to their high controllability, laser pulses have contributed greatly to our understanding of strongly correlated electron systems. However, typical multicycle pulses do not control the symmetry of systems, which plays an important role in the emergence of novel quantum phases. Here, we demonstrate that subcycle pulses whose oscillation is less than one period within a pulse envelope can control inversion and time-reversal symmetries in the electronic states of the one-dimensional extended Hubbard model. Using an ultrashort subcycle pulse, one can generate a steady electric current (SEC) in a photoexcited state due to an Aharonov-Bohm flux instantaneously introduced through the phase of an electric field. Consequently, time-reversal symmetry is broken. In contrast, a broad subcycle pulse does not induce SEC but instead generates electric polarization, thus breaking inversion symmetry. Both symmetry breakings in a photoexcited state can be monitored by second-harmonic generation. These findings provide a new methodology for designing the symmetries of electronic states and open up a new field of subcycle-pulse engineering.

Magnetic proximity effect in the heterostructures of topological insulators and SrRuO3

Introducing magnetic order into a topological insulator via the magnetic proximity effect can break the time-reversal symmetry of the topological surface states, resulting in a variety of exotic physical phenomena that are expected to be applied in spintronic devices. However, in the topological insulator/ferromagnet heterostructures obtained so far, the interfacial hybridization is too weak and difficult to induce sufficiently strong magnetism in the topological insulator. In this work, we investigate the electrical transport properties of Bi2Te3 (Sb2Te3)/SrRuO3 heterostructures and demonstrate the presence of the magnetic proximity effect in them. The Curie temperature of Bi2Te3 (Sb2Te3)/SrRuO3 heterostructures was found to be increased by about 25 K. The coercive field was suppressed in the magnetoresistance; the Hall curves of Bi2Te3 (Sb2Te3)/SrRuO3 heterostructures exhibited different orientations and appeared non-linear behavior at high fields, and the anisotropic magnetoresistance changed from twofold rotational symmetry to quadruple symmetry. These provide direct evidence for the emergence of the magnetic proximity effect. This work will help to study the magnetic proximity effect in the topological insulators and paves the way for spintronic devices in the future.

Interaction-induced metal to topological insulator transition

By means of exact diagonalizations, the Bernevig-Hughes-Zhang model at quarter-filling in the limit of strong Hubbard on-site repulsion is investigated. We find that the noninteracting metallic state will be turned into a Chern insulator with saturated magnetization under strong correlations. That is, at such a metal-insulator transition, both the topological and the magnetic properties of the system are changed due to spontaneous breaking of time-reversal symmetry in the ground states. According to our findings, this topological phase transition seems to be of first order. Our results illustrate the interesting physics in topological Mott transitions and provide guidance to the search of more interaction-induced topological phases in similar systems.

Investigating the Rydberg states and photodissociation dynamics of Kr2using velocity map imaging

Although the krypton dimer, Kr2, is a prototypical weakly bound van der Waals complex in its ground electronic state, the excited states of Kr2exhibit many and various interactions. Resonance-enhanced multiphoton ionization and velocity map imaging provide an avenue to explore the electronic structure and photofragmentation dynamics of Kr2in the vacuum ultraviolet region. By monitoring photofragmentation product channels and recoil anisotropy distributions, one can gain insights into excited state symmetries and lifetimes, which can aid in interpreting spectroscopy. Here, we study the spectroscopy and photodissociation dynamics of Kr2in the 91 000–94 500 cm−1region. We record and assign photofragment product channels for 32 vibronic bands corresponding to seven electronic transitions. We also identify two previously unobserved vibronic band systems, which we assign as the Kr2 5p [5/2]3 [Formula: see text] and 5p [3/2]2[Formula: see text] transitions. Velocity map images show photofragments arising from predissociation of the neutral Rydberg states and from dissociative photoionization at the n &gt; 2 photon level. We also observe variation in branching ratios between the predissociative and dissociative photoionization channels depending on the lifetime of the intermediate; longer lived states favour higher dissociative photoionization yields and exhibit β6anisotropy parameters for predissociation product channels, indicating “rotational smearing” of the product angular distributions.

Asymptotic phase-locking and synchronization in two-qubit systems

The paper concerns spontaneous asymptotic phase-locking and synchronization in two-qubit systems undergoing continuous Markovian evolution described by Lindbladian dynamics with normal Lindblad operators. Using analytic methods, all phase-locking-enforcing mechanisms within the given framework are obtained and classified. Detailed structures of their respective attractor spaces are provided and used to explore their properties from various perspectives. Amid phase-locking processes those additionally enforcing identical stationary parts of both qubits are identified, including as a special case the strictest form of synchronization conceivable. A prominent basis is presented which reveals that from a physical point of view two main types of phase-locking mechanisms exist. The ability to preserve information about the initial state is explored and an upper bound on the amplitude of oscillations of the resulting phase-locked dynamics is established. Permutation symmetry of both asymptotic states and phase-locking mechanisms is discussed. Lastly, the possibility of entanglement production playing the role of a phase-locking witness is rebutted by three analytically treatable examples.

Mixed symmetry states in 96Mo and 98Ru isotones in the framework of interacting boson model

The software package IBM code for interacting boson model-1 and Neutron Proton Boson NPBOS code for interacting boson model-2 have been used to calculate energy levels for, for by estimating a set of parameters which are used to predict the behavior of even-even isotones within the current scope of work there is clear competition between the two parameters (ε and a2) in isotones, as an inverse relationship. This means that vibrational qualities are continuous mixed with the rotational properties. In interacting boson model-2 parameters(ε, κ, χπ and χν) have been shown similarity with interacting boson model-1 expected. The Majorana parameter effect (ζ2) on the calculated excitation energy level for isotones has been accomplished by vary the ζ2 around the optimum-matches to practical data. The effect of increasing ζ2 on mixing symmetry states is the same in all isotones but different from state to another, we find the state J+ = 23+ was the lowest mixing symmetry states still approximately constant in the all. In that time,isotones have 1+, 3+1, 5+1 mixed symmetry states, rapidly increasing with increasing ζ2. The results of the calculated energy levels were in acceptable agreement with the experimental data. There is no pure vibrational property of these isotones

Spin and orbital metallic magnetism in rhombohedral trilayer graphene

We provide a complete theoretical interpretation of the metallic broken spin/valley symmetry states recently discovered in ABC trilayer graphene (ABC) perturbed by a large transverse displacement field. Our conclusions combine insights from ABC trilayer graphene electronic structure models and mean field theory, and are guided by precise magneto-oscillation Fermi-surface-area measurements. We conclude that the physics of ABC trilayer graphene is shaped by the principle of momentum-space condensation, which favors Fermi surface reconstructions enabled by broken spin/valley flavor symmetries when the single-particle bands imply thin annular Fermi seas. We find one large outer Fermi surface enclosed majority-flavor states and one or more small inner hole-like Fermi surfaces enclosed minority-flavor states that are primarily responsible for nematic order. The smaller surfaces can rotate along a ring of van-Hove singularities or reconstruct into multiple Fermi surfaces with little cost in energy. We propose that the latter property is responsible for the quantum oscillation frequency fractionalization seen experimentally in some regions of the carrier-density/displacement-field phase diagram.