Fractional Spin Research Articles

Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem".

Kirkpatrick et al. (Reports, 9 December 2021, p. 1385) trained a neural network-based DFT functional, DM21, on fractional-charge (FC) and fractional-spin (FS) systems, and they claim that it has outstanding accuracy for chemical systems exhibiting strong correlation. Here, we show that the ability of DM21 to generalize the behavior of such systems does not follow from the published results and requires revisiting.

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures.

The failure of many approximate electronic structure methods can be traced to their erroneous description of fractional charge and spin redistributions in the asymptotic limit toward infinity, where violations of the flat-plane conditions lead to delocalization and static correlation errors. Although the energetic consequences of the flat-planes are known, the underlying quantum phase transitions that occur when (spin)charge is redistributed have not been characterized. In this study, we use open subsystems to redistribute (spin)charges in the tilted Hubbard model by imposing suitable Lagrange constraints on the Hamiltonian. We computationally recover the flat-plane conditions and quantify the underlying quantum phase transitions using quantum entanglement measures. The resulting entanglement patterns quantify the phase transition that gives rise to the flat-plane conditions and quantify the complexity required to accurately describe charge redistributions in strongly correlated systems. Our study indicates that entanglement patterns can uncover those phase transitions that have to be modeled accurately if the delocalization and static correlation errors of approximate methods are to be reduced.

Defect-induced edge ferromagnetism and fractional spin excitations of the SU(4) π-flux Hubbard model on honeycomb lattice

Recently, a SU(4) π-flux Hubbard model on the honeycomb lattice has been proposed to study the spin-orbit excitations of α-ZrCl3 (Yamada et al., 2018 [27]). Based on this model with a zigzag edge, we show the edge defects can induce edge flat bands that result in a SU(4) edge ferromagnetism. We develop an effective one-dimensional interaction Hamiltonian to study the corresponding SU(4) spin excitations. Remarkably, SU(4) spin excitations of the edge ferromagnet appear as a continuum covering the entire energy region rather than usual magnons. Through further entanglement entropy analysis, we suggest that the continuum consists of fractionalized spin excitations from the disappeared magnons, except for that from the particle-hole Stoner excitations. Moreover, in ribbon systems with finite widths, the disappeared magnons can be restored in the gap formed by the finite-size effect and the optical branch of the restored magnons are found to be topological nontrivial.

Realizing the symmetry-protected Haldane phase in Fermi–Hubbard ladders

Topology in quantum many-body systems has profoundly changed our understanding of quantum phases of matter. The model that has played an instrumental role in elucidating these effects is the antiferromagnetic spin-1 Haldane chain1,2. Its ground state is a disordered state, with symmetry-protected fourfold-degenerate edge states due to fractional spin excitations. In the bulk, it is characterized by vanishing two-point spin correlations, gapped excitations and a characteristic non-local order parameter3,4. More recently it has been understood that the Haldane chain forms a specific example of a more general classification scheme of symmetry-protected topological phases of matter, which is based on ideas connected to quantum information and entanglement5–7. Here, we realize a finite-temperature version of such a topological Haldane phase with Fermi–Hubbard ladders in an ultracold-atom quantum simulator. We directly reveal both edge and bulk properties of the system through the use of single-site and particle-resolved measurements, as well as non-local correlation functions. Continuously changing the Hubbard interaction strength of the system enables us to investigate the robustness of the phase to charge (density) fluctuations far from the regime of the Heisenberg model, using a novel correlator.

Delta- T noise for weak tunneling in one-dimensional systems: Interactions versus quantum statistics

We study delta-T noise -- excess charge noise at zero voltage but finite temperature bias -- for weak tunneling in 1D interacting systems. We show that the sign of the delta-T noise is generically determined by the nature of the dominating tunneling process (more specifically, its scaling dimension). We clarify the relation between the sign of delta-T noise and the quantum exchange statistics of tunneling quasiparticles. We find that, for infinite systems hosting chiral channels with local interactions (e.g., quantum Hall or quantum spin Hall edges), when the delta-T noise is negative, the tunneling particles are boson-like, revealing their tendency towards bunching. However, the opposite is not true: Boson-like particles do not necessarily produce negative delta-T noise. Importantly, the bosonic nature of particles generating the negative delta-T is not necessarily intrinsic, but can be induced by the interactions. This particularly implies that negative delta-T noise for tunneling between the edge states cannot serve as a smoking gun for detecting "intrinsic anyons". We also establish a connection between the delta-T noise and the temperature derivative of the thermal noise in interacting systems, both governed by the same scaling dimensions. As a demonstration of the above statements, we study tunneling between two interacting quantum spin Hall edges. With bosonization and renormalization-group techniques, we find that many-body interactions can generate negative delta-T noise for both direct tunneling through a point contact and in Kondo exchange tunneling via a localized spin. In both setups, we show that the noise can become negative at sufficiently low temperatures, when interactions renormalize the tunneling to favor boson-like pair-tunneling of electrons. Our findings show that delta-T noise can probe the nature of collective excitations in interacting 1D systems.

Molecular orbital projectors in non-empirical jmDFT recover exact conditions in transition-metal chemistry.

Low-cost, non-empirical corrections to semi-local density functional theory are essential for accurately modeling transition-metal chemistry. Here, we demonstrate the judiciously modified density functional theory (jmDFT) approach with non-empirical U and J parameters obtained directly from frontier orbital energetics on a series of transition-metal complexes. We curate a set of nine representative Ti(III) and V(IV) d1 transition-metal complexes and evaluate their flat-plane errors along the fractional spin and charge lines. We demonstrate that while jmDFT improves upon both DFT+U and semi-local DFT with the standard atomic orbital projectors (AOPs), it does so inefficiently. We rationalize these inefficiencies by quantifying hybridization in the relevant frontier orbitals. To overcome these limitations, we introduce a procedure for computing a molecular orbital projector (MOP) basis for use with jmDFT. We demonstrate this single set of d1 MOPs to be suitable for nearly eliminating all energetic delocalization and static correlation errors. In all cases, MOP jmDFT outperforms AOP jmDFT, and it eliminates most flat-plane errors at non-empirical values. Unlike DFT+U or hybrid functionals, jmDFT nearly eliminates energetic delocalization and static correlation errors within a non-empirical framework.

Observation of fractional spin textures in a Heusler material

Recently a zoology of non-collinear chiral spin textures has been discovered, most of which, such as skyrmions and antiskyrmions, have integer topological charges. Here we report the experimental real-space observation of the formation and stability of fractional antiskyrmions and fractional elliptical skyrmions in a Heusler material. These fractional objects appear, over a wide range of temperature and magnetic field, at the edges of a sample, whose interior is occupied by an array of nano-objects with integer topological charges, in agreement with our simulations. We explore the evolution of these objects in the presence of magnetic fields and show their interconversion to objects with integer topological charges. This means the topological charge can be varied continuously. These fractional spin textures are not just another type of skyrmion, but are essentially a new state of matter that emerges and lives only at the boundary of a magnetic system. The coexistence of both integer and fractionally charged spin textures in the same material makes the Heusler family of compounds unique for the manipulation of the real-space topology of spin textures and thus an exciting platform for spintronic and magnonic applications.

Fractional spin excitations and conductance in the spiral-staircase Heisenberg ladder

We investigate theoretically the spiral staircase Heisenberg spin-$1/2$ ladder in the presence of antiferromagnetic long-range spin interactions and a uniform magnetic field. As a special case we also consider the Kondo necklace model. If the magnetizations of the two chains forming the ladder satisfy a certain resonance condition, involving interchain couplings as perturbations, the system is in a partially gapped magnetic phase hosting excitations characterized by fractional spins, whose values can be changed by the magnetic field. We show that these fractional spin excitations can be probed by spin currents in a transport setup with a spin conductance that reveals the fractionalized spin. In some special cases, the spin conductance reaches universal values in units of $(g\mu_B)^2/h$, where $g$ is the $g$-factor, $\mu_B$ the Bohr magneton, and $h$ the Planck constant. We obtain our results with the help of bosonization and numerical density matrix renormalization group methods.

Designing Z2 and Z2×Z2 topological orders in networks of Majorana bound states

Topological orders have been intrinsically identified in a class of systems such as fractional quantum Hall states and spin liquids. Accessing such states often requires extreme conditions such as low temperatures, high magnetic fields, pure samples, etc. Another approach would be to engineer the topological orders in systems with more accessible ingredients. In this work, we present networks of Majorana bound states, which are currently accessible in semiconductor nanowires proximitized to conventional superconductors, and show that the effective low-energy theory is topologically ordered. We first demonstrate the main principles in a lattice made of Kitaev superconducting chains comprising both spin species. The lattice is coupled to free magnetic moments through the Kondo interaction. We then show that at the weak coupling limit, effective ring spin interactions are induced between magnetic moments with a topological order enjoying a local $\mathbb{Z}_2 \times \mathbb{Z}_2$ gauge symmetry. We then show that the same topological order and also the $\mathbb{Z}_2$ one can be engineered in architecture patterns of semiconductor nanowires hosting Majorana bound states. The basic blocks of patterns are the time-reversal Majorana Cooper boxes coupled to each other by metallic leads, and the Majorana states are allowed to tunnel to quantum dots sitting on the vertices of the lattices. In the limit of strong onsite Coulomb interactions, where the charge fluctuations are suppressed, the magnetic moments of dots on the square and honeycomb lattices are described by topologically ordered spin models with underlying $\mathbb{Z}_2$ and $\mathbb{Z}_2 \times \mathbb{Z}_2$ gauge symmetries, respectively. Finally, we show that the latter topological order can also be realized in a network of purely Majorana zero modes in the absence of coupling to quantum dots.

Optimal Tuning Perspective of Range-Separated Double Hybrid Functionals.

We study the optimal tuning of the free parameters in range-separated double hybrid functionals, based on enforcing the exact conditions of piecewise linearity and spin constancy. We find that introducing the range separation in both the exchange and the correlation terms allows for the minimization of both fractional charge and fractional spin errors for singlet atoms. The optimal set of parameters is system specific, underlining the importance of the tuning procedure. We test the performance of the resulting optimally tuned functionals for the dissociation curves of diatomic molecules. We find that they recover the correct dissociation curve for the one-electron system, H2+, and improve the dissociation curves of many-electron molecules such as H2 and Li2, but they also yield a nonphysical maximum and only converge to the correct dissociation limit at very large distances.

Measurable fractional spin for quantum Hall quasiparticles on the disk

We study the spin of the localised quasiparticle excitations of lowest-Landau-level quantum Hall states defined on a disk. The spin that we propose satisfies the spin-statistics relation and can be used to reconstruct the topological geometric phase associated to the exchange of two arbitrarily chosen quasiparticles. Since it is related to the quadrupole moment of the quasiparticle charge distribution, it can be measured in an experiment and could reveal anyonic properties in a way that is complementary to the interferometric schemes employed so far. We first discuss our definition for the quasiholes of the Laughlin state, for which we present a numerical and analytical study of our spin, and we proceed with a discussion of several kinds of quasiholes of the Halperin 221 state. Finally, we discuss the link between our spin and the adiabatic rotation of the quasiparticles around their axis and demonstrate that our spin obeys the spin-statistics relation.

Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights.

Approximate functionals in Kohn-Sham density functional theory (KS-DFT) and reduced density matrix functional theory (RDMFT) have advantages in dealing with dynamic correlation and strong correlation, respectively; their combination can benefit from complementarity while suffering from the problem of correlation double-counting. Herein, a short-range corrected reduced density matrix (1-RDM) functional is developed to take advantage of the functionals in KS-DFT and RDMFT without double-counting. The resulting functional, denoted as ωP22, outperforms other 1-RDM functionals for the tests of thermochemistry, nonbonded interactions, and bond dissociation energy. In particular, ωP22 shows much less systematic error for systems involving fractional spins, and it can properly predict the energies at both equilibrium and dissociated distances for different single and multiple bonds, which cannot be achieved by commonly used KS-DFT and RDMFT functionals. Therefore, ωP22 is demonstrated effective in balance handling dynamic and strong correlation, and the advances in this work would create new possibilities for the development and application of approximate functionals.

Hole Spectral Function of a Chiral Spin Liquid in the Triangular Lattice Hubbard Model

Quantum spin liquids are fascinating phases of matter, hosting fractionalized spin excitations and unconventional long-range quantum entanglement. These exotic properties, however, also render their experimental characterization challenging and finding ways to diagnose quantum spin liquids is therefore a pertinent challenge. Here, we numerically compute the spectral function of a single hole doped into the half-filled Hubbard model on the triangular lattice using techniques based on matrix product states. At half filling the system has been proposed to realize a chiral spin liquid at intermediate interaction strength, surrounded by a magnetically ordered phase at strong interactions and a superconducting/metallic phase at weak interactions. We find that the spectra of these phases exhibit distinct signatures. By developing appropriate parton mean-field descriptions, we gain insight into the relevant low energy features. While the magnetic phase is characterized by a dressed hole moving through the ordered spin background, we find indications of spinon dynamics in the chiral spin liquid. Our results suggest that the hole spectral function, as measured by Angle-Resolved Photoemission Spectroscopy (ARPES), provides a useful tool to characterize quantum spin liquids.

Artificial intelligence “sees” split electrons

Machine-learning creates a density functional that accounts for fractional charge and spin

Fractional spin fluctuations and quantum liquid signature in Gd2ZnIrO6

Hitherto, the discrete identification of quantum spin liquid phase, holy grail of condensed matter physics, remains a challenging task experimentally. However, the precursor of quantum spin liquid state may reflect in the spin dynamics even in the paramagnetic phase over a wide temperature range as conjectured theoretically. Here we report comprehensive inelastic light (Raman) scattering measurements on the Ir based double perovskite, Gd2ZnIrO6, as a function of different incident photon energies and polarization in a broad temperature range. Our results evidenced the spin fractionalization within the paramagnetic phase reflected in the emergence of a polarization independent quasi-elastic peak at low energies with lowering temperature. Also, the fluctuating scattering amplitude measured via dynamic Raman susceptibility increases with lowering temperature and decreases mildly upon entering into long-range magnetic ordering phase, below 23 K, suggesting the magnetic origin of these fluctuations. This anomalous scattering response is thus indicative of fluctuating fractional spin evincing the quantum spin liquid phase in a three-dimensional double perovskite system.

Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains.

The failure of many density functional approximations can be traced to their behavior under fractional (spin)population redistributions in the asymptotic limit toward infinite bonding distances, which should obey the flat-plane conditions. However, such errors can only be characterized sufficiently in terms of those redistributions if exact energies are available for many possible (spin)population redistributions at different bonding distances. In this study, we propose to model such redistributions by imposing (spin)populations on atomic domains by constraining full configuration interaction wave functions. The resulting N-representable descriptions of small hydrogen chains at different bonding distances allow us to computationally illustrate the effects of the flat-plane conditions in the limit to infinite bond distances, leading to more chemical insight into those flat-plane conditions. As the proposed methodology is able to capture the effects of the flat plane conditions, it could be used to generate the reference data that is required to measure the extent to which approximate methods violate the requirements of the exact functional, leading to a quantification of the delocalization and static correlation error of such methods.

Approximate solutions for optical magnetic and electric phase with fractional optical Heisenberg ferromagnetic spin by RPSM

In this paper, we obtain a new representation of optical spherical electric and magnetic flow density of magnetic spherical Heisenberg SHt particle flows by spherical frame on spherical Heisenberg space SH32 with the residual power series method (RPSM). Then, we have approximately new optical conditions of magnetic spherical Heisenberg SHt electric and magnetic phase with optical spherical electric and magnetic flow density. Moreover, we obtain new fractional equation by spherical magnetic Lorentz flux with the residual power series method. Finally, magnetic spherical Heisenberg SHt electric and magnetic phase of spherical surface is demonstrated in uniform optical magnetic surface applying analytical and fractional numerical consequences in spherical Heisenberg space SH32. Characteristics of presented fractional equations are shown by using some precise values of optical arguments on obtained solutions.

Generalized Lieb-Schultz-Mattis theorem on bosonic symmetry protected topological phases

We propose and prove a family of generalized Lieb-Schultz-Mattis~(LSM) theorems for symmetry protected topological~(SPT) phases on boson/spin models in any dimensions. The ``conventional'' LSM theorem, applicable to e.g. any translation invariant system with an odd number of spin-1/2 particles per unit cell, forbids a symmetric short-range-entangled ground state in such a system. Here we focus on systems with no LSM anomaly, where global/crystalline symmetries and fractional spins within the unit cell ensure that any symmetric SRE ground state must be a non-trivial SPT phase with anomalous boundary excitations. Depending on models, they can be either strong or ``higher-order'' crystalline SPT phases, characterized by non-trivial surface/hinge/corner states. Furthermore, given the symmetry group and the spatial assignment of fractional spins, we are able to determine all possible SPT phases for a symmetric ground state, using the real space construction for SPT phases based on the spectral sequence of cohomology theory. We provide examples in one, two and three spatial dimensions, and discuss possible physical realization of these SPT phases based on condensation of topological excitations in fractionalized phases.

Clout of fractional time order and magnetic coupling coefficients on the soliton and modulation instability gain in the Heisenberg ferromagnetic spin chain

In this paper we utilize the auxiliary equation method to show the leverage of the fractional derivative parameter and the Magnetic Coupling Coefficients (MCC) on the procured soliton solutions and the Modulation Instability (MI) gain in Heisenberg ferromagnetic spin. The pedestal of the work is set on the (2+1)-fractional time order dimensional Heisenberg ferromagnetic spin chain equation which demonstrate the propagation of nonlinear waves in Heisenberg ferromagnetic spin chain system. The results collected have enclosed bright-dark soliton, dark soliton and rational solutions. Compared the acquired results with Zhao et al. (2016) [26], Akbar (2021) [27], Hosseini et al. (2021b) [28], further soliton-like solutions have been drop in and the marvel of the fractional parameter has been exposed across the spatiotemporal and plot evolution of the bright and dark soliton solutions. Therewith, the MI bands have been stressed and it is observed some new attitude of the MI gain spectra under the induction of the MCC jointed with the fractional time derivative order. The collected results are new in literature in our knowledge and will give the pipe to the solitary waves theory in Heisenberg ferromagnetic spin including inhomogeneity parameters.

Spherical magnetic flux flows with fractional Heisenberg spherical ferromagnetic spin of optical spherical flux density with fractional applications

In this paper, we construct a new approach of spherical magnetic Lorentz flux of spherical [Formula: see text]-magnetic flows of particles by the spherical frame in [Formula: see text] spherical space. Eventually, we obtain some optical conditions of spherical [Formula: see text]-magnetic Lorentz flux by using directional spherical fields. Moreover, we determine spherical magnetic Lorentz flux for spherical vector fields. Also, we give new construction for spherical curvatures of spherical [Formula: see text]-magnetic flows by considering Heisenberg spherical ferromagnetic spin. The approximate solution is expressed by a table and some graphics. Finally, the magnetic flux surface is demonstrated in a static and uniform magnetic surface by using the analytical and numerical results.