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At least 181 records · Page 10

Emergence of Topologically Nontrivial Spin-Polarized States in a Segmented Linear Chain

The synthesis of new materials with novel or useful properties is one of the most important drivers in the fields of condensed matter physics and materials science. Discoveries of this kind are especially significant when they point to promising future basic research and applications. Van der Waals bonded materials comprised of lower-dimensional building blocks have been shown to exhibit emergent properties when isolated in an atomically thin form. Here, we report the discovery of a transition metal chalcogenide in a heretofore unknown segmented linear chain form, where basic building blocks each consisting of two hafnium atoms and nine tellurium atoms (Hf 2 Te 9 ) are van der Waals bonded end-to-end. First-principle calculations based on density functional theory reveal striking crystal-symmetry-related features in the electronic structure of the segmented chain, including giant spin splitting and nontrivial topological phases of selected energy band states. In this work, atomic-resolution scanning transmission electron microscopy reveals single segmented Hf 2 Te 9 chains isolated within the hollow cores of carbon nanotubes, with a structure consistent with theoretical predictions. Van der Waals-bonded segmented linear chain transition metal chalcogenide materials could open up new opportunities in low-dimensional, gate-tunable, magnetic and topological crystalline systems.

36 MATERIALS SCIENCE↗

Semi-classical approximation description of static properties of nuclei

In this report, we present recent development in semi-classical description of static properties of nuclei. By employing the Wigner transform, we derive simple semiclassical approximations for evaluating properties of nuclear system. We present results of calculations of static properties, using the energy density functional associated with Skyrme effective nucleon–nucleon interaction. In particular, we consider properties of the Wigner distribution function, line of beta stability, Coulomb and symmetry energies, deformation energies, equation of state, nuclear radii, and single-particle level density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗

A Brillouin light scattering study of the spin-wave magnetic field dependence in a magnetic hybrid system made of an artificial spin-ice structure and a film underlayer

We present a combined Brillouin light scattering (BLS) and micromagnetic simulation investigation of the magnetic-field-dependent spin-wave spectra in a hybrid structure made of permalloy (NiFe) artificial spin-ice (ASI) systems, composed of stadium-shaped nanoislands, deposited on the top of an unpatterned permalloy film with a nonmagnetic spacer layer. The thermal spin-wave spectra were recorded by BLS as a function of the magnetic field applied along the symmetry direction of the ASI sample. Magneto-optic Kerr effect magnetometry was used to measure the hysteresis loops in the same orientation as the BLS measurements. Here, the frequency and the intensity of several spin-wave modes detected by BLS were measured as a function of the applied magnetic field. Micromagnetic simulations enabled us to identify the modes in terms of their frequency and spatial symmetry and to extract information about the existence and strength of the dynamic coupling, relevant only to a few modes of a given hybrid system. Using this approach, we suggest a way to understand if the dynamic coupling between ASI and film modes is present or not, with interesting implications for the development of future three-dimensional magnonic applications and devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Aspects of symmetry and topology in the charge density wave phase of 1T–TiSe 2

Abstract The charge density wave (CDW) in 1 T –TiSe 2 harbors a nontrivial symmetry configuration. It is important to understand this underlying symmetry both for gaining a handle on the mechanism of CDW formation and for probing the CDW experimentally. Here, based on first-principles computations within the framework of the density functional theory, we unravel the connection between the symmetries of the normal and CDW states and the electronic structure of 1 T –TiSe 2 . Our analysis highlights the key role of irreducible representations of the electronic states and the occurrence of band gaps in the system in driving the CDW. By showing how symmetry-related topology can be obtained directly from the electronic structure, our study provides a practical pathway in search of topological CDW insulators.

Physics↗

Classical Non-Markovian Noise in Symmetry-Preserving Quantum Dynamics

In quantum dynamics, symmetries are vital for identifying and assessing conserved quantities that govern the evolution of a quantum system. When promoted to the open quantum system setting, dynamical symmetries can be negatively altered by system-environment interactions, thus, complicating their analysis. Previous work on noisy symmetric quantum dynamics has focused on the Markovian setting, despite the ubiquity of non-Markovian noise in a number of widely used quantum technologies. Here, in this Letter, we develop a framework for quantifying the impact of non-Markovian noise on symmetric quantum evolution via root space decompositions and the filter function formalism. We demonstrate analytically that symmetry-preserving noise maintains the symmetric subspace, while nonsymmetric noise leads to highly specific leakage errors that are block diagonal in the symmetry representation. We support our findings with numerical studies of a transverse-field Ising model and a quantum error detecting code subject to spatiotemporally correlated multiaxis noise. Our results are broadly applicable, providing new analytic insights into the control and characterization of open quantum system dynamics.

decoherence↗

Exact-two-component block-localized wave function: A simple scheme for the automatic computation of relativistic ΔSCF

Block-localized wave function is a useful method for optimizing constrained determinants. In this article, we extend the generalized block-localized wave function technique to relativistic two-component framework. Optimization of excited state determinants for two-component wave functions presents a unique challenge because the excited state manifold is often quite dense with degenerate states. Furthermore, we test the degree to which certain symmetries result naturally from the ΔSCF optimization such as time reversal symmetry and symmetry with respect to the total angular momentum operator on a series of atomic systems. Variational optimizations may often break symmetry in order to lower the overall energy, just as unrestricted Hartree-Fock breaks spin symmetry. Overall, we demonstrate that time reversal symmetry is roughly maintained when using Hartree-Fock, but less so when using Kohn-Sham density functional theory. Additionally, maintaining total angular momentum symmetry appears to be system dependent and not guaranteed. Finally, we were able to trace the breaking of total angular momentum symmetry to the relaxation of core electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polar coupling enabled nonlinear optical filtering at MoS 2 /ferroelectric heterointerfaces

Complex oxide heterointerfaces and van der Waals heterostructures present two versatile but intrinsically different platforms for exploring emergent quantum phenomena and designing new functionalities. The rich opportunity offered by the synergy between these two classes of materials, however, is yet to be charted. Here, we report an unconventional nonlinear optical filtering effect resulting from the interfacial polar alignment between monolayer MoS 2 and a neighboring ferroelectric oxide thin film. The second harmonic generation response at the heterointerface is either substantially enhanced or almost entirely quenched by an underlying ferroelectric domain wall depending on its chirality, and can be further tailored by the polar domains. Unlike the extensively studied coupling mechanisms driven by charge, spin, and lattice, the interfacial tailoring effect is solely mediated by the polar symmetry, as well explained via our density functional theory calculations, pointing to a new material strategy for the functional design of nanoscale reconfigurable optical applications.

36 MATERIALS SCIENCE↗

Unexpected features in the optical vibrational spectra of δ-UO 3

Uranium trioxide displays a complex chemical phase space, with at least six structurally distinct polymorphs accessible via different synthetic routes. Remarkably, despite its technological importance, full structural and electronic characterization of these polymorphs remains an open area of study. δ-UO 3 in particular has attracted significant theoretical attention due to its high point group and space group symmetries, having U (VI) in octahedral coordination with polyhedra interconnected through corner-sharing to build a 3-D cubic lattice with space group symmetry Pm-3m and Z = 1. Critical experimental information, such as its optical vibrational spectra, are not known. Here, we study the Raman and infrared (IR) spectra of δ-UO 3 together with the support of density functional theory (DFT) calculations for spectral interpretation. A symmetry analysis of the DFT-predicted phonon eigenmodes indicates that δ-UO 3 should have two IR active modes and no Raman active modes. Experimental results, however, indicate significant Raman scattering from δ-UO 3 . We therefore propose four potential explanations for this apparent contradiction: a possible tetragonal distortion to the cubic cell, the existence of a surface impurity layer, vacancy scattering, and structural activation of Raman signal. We use powder X-ray diffraction and confocal Raman spectroscopy with depth profiling to investigate these possibilities and suggest future experiments to explore this phenomenon in more detail. Understanding the lattice dynamics of δ-UO 3 is important for identification of technogenic U phases via Raman and infrared spectroscopy and our results indicate that the simple understanding of δ-UO 3 as a high-symmetry cubic structure should be reconsidered.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Attosecond X-Ray Core-Level Chronoscopy of Aromatic Molecules

Attosecond photoemission or photoionization delays are a unique probe of the structure and the electronic dynamics of matter. However, the spectral congestion of valence photoelectron spectra sets fundamental limits to the complexity of systems that can be studied, and the delocalization of valence electron wave functions blurs the spatial origin of the photoelectron wave packet. Using attosecond x-ray pulses from LCLS, we demonstrate the key advantages of measuring core-level delays: The photoelectron spectra remain atomlike, the measurements become element specific, and the observed scattering dynamics originate from a pointlike source when multicenter interference effects are negligible. We exploit these unique features to reveal the effects of changing functional groups (C-H vs N) and symmetry on attosecond scattering dynamics by measuring and calculating the photoionization delays between N−1⁢𝑠 and C−1⁢𝑠 core shells of a series of aromatic azabenzene molecules. Remarkably, the delays increase with the number of nitrogen atoms in the molecule and reveal multiple resonances. We identify two previously unknown mechanisms regulating the associated attosecond dynamics, namely the enhanced confinement of the trapped wave function with the replacement of C-H groups by N atoms and the decrease of the coupling strength among the photoemitted partial waves with increasing symmetry. This study demonstrates the unique opportunities opened by measurements of core-level photoionization delays for unraveling attosecond electron dynamics in complex matter.

Ji, Jia-Bao [Eidgenoessische Technische Hochschule↗

Infinite-dimensional fermionic symmetry in supersymmetric gauge theories

We establish the existence of an infinite-dimensional fermionic symmetry in four-dimensional supersymmetric gauge theories by analyzing semiclassical photino dynamics in abelian $\mathscr{N}$ = 1 theories with charged matter. The symmetry is parametrized by a spinor-valued function on an asymptotic S2 at null infinity. It is not manifest at the level of the Lagrangian, but acts non-trivially on physical states, and its Ward identity is the soft photino theorem. The infinite-dimensional fermionic symmetry resides in the same $\mathscr{N}$ = 1 supermultiplet as the physically non-trivial large gauge symmetries associated with the soft photon theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A one-loop test of the near-AdS 2 /near-CFT 1 correspondence

We analyze quantum fluctuations around black hole solutions to the Jackiw-Teitelboim model. We use harmonic analysis on Euclidean AdS 2 to show that the logarithmic corrections to the partition function are determined entirely by quadratic holomorphic differentials, even when conformal symmetry is broken and harmonic modes are no longer true zero modes. Our quantum-corrected partition function agrees precisely with the SYK result. We argue that our effective quantum field theory methods and results generalize to other theories of two-dimensional dilaton gravity.

2D Gravity↗

Quenching through the QCD chiral phase transition

We present a detailed numerical and analytical study of the out-of-equilibrium dynamics of Model G, the dynamical universality class relevant to the chiral phase transition. We perform numerical 3D stochastic (Langevin) simulations of the 𝑂⁡(4) critical point for large lattices in the chiral limit. We quench the system from the high-temperature unbroken phase to the broken phase and study the nonequilibrium dynamics of pion fields. Strikingly, the nonequilibrium evolution of the two-point functions exhibits a regime of growth, a parametrically large enhancement, and a subsequent slow relaxation to equilibrium. We analyze our numerical results using dynamic critical scaling and mean-field theory. The growth of the two-point functions is determined by the nonlinear dynamics of an ideal non-Abelian superfluid, which is a limit of Model G that reflects the broken chiral symmetry. We also relate the nonequilibrium two-point functions to a long-lived parametric enhancement of soft pion yields relative to thermal equilibrium following a quench.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Symmetry breaking and self-interaction correction in the chromium atom and dimer

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. In conclusion, these results can be regarded as qualitative evidence that the SIC needs to be scaled down in many-electron regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Visualizing broken symmetry and topological defects in a quantum Hall ferromagnet

The interaction between electrons in graphene under high magnetic fields drives the formation of a rich set of quantum Hall ferromagnetic (QHFM) phases with broken spin or valley symmetry. Visualizing atomic-scale electronic wave functions with scanning tunneling spectroscopy (STS), we resolved microscopic signatures of valley ordering in QHFM phases and spectral features of fractional quantum Hall phases of graphene. At charge neutrality, we observed a field-tuned continuous quantum phase transition from a valley-polarized state to an intervalley coherent state, with a Kekulé distortion of its electronic density. Mapping the valley texture extracted from STS measurements of the Kekulé phase, we could visualize valley skyrmion excitations localized near charged defects. Our techniques can be applied to examine valley-ordered phases and their topological excitations in a wide range of materials.

valley symmetry↗

Observing magnetoanisotropic weak antilocalization in near-surface quantum wells

We investigate the effects of an in-plane magnetic field on the weak antilocalization signature of near-surface quantum wells lacking bulk and inversion symmetry. The measured magnetoconductivity, which is conductivity as a function of the out-of-plane magnetic field, exhibits a strong anisotropy with respect to the direction of the in-plane magnetic field. The twofold symmetry of the observed magnetoanisotropy originates from the competition between Rashba and Dresselhaus spin-orbit couplings. The high sensitivity of the weak antilocalization to the spin texture produced by the combined Zeeman and spin-orbit fields results in very large anisotropy ratios, reaching 100%. Using a semiclassical universal model in quantitative agreement with the experimental data, we uniquely determine the values of the Dresselhaus and Rashba parameters as well as the effective in-plane g-factor of the electrons. Understanding these parameters provides prospects for different applications ranging from spintronics to topological quantum computing. Published by the American Physical Society 2024

Farzaneh, S. M. (ORCID:0000000341450991)↗

Unmixing Symmetries

The low-lying spectra of atomic nuclei display diverse behaviors, for example, rotational bands, which can be described phenomenologically by simple symmetry groups such as spatial SU(3). This leads to the idea of dynamical symmetry, where the Hamiltonian commutes with the Casimir operator(s) of a group, and is block diagonal in subspaces defined by the group’s irreducible representations or irreps. Detailed microscopic calculations, however, show these symmetries are in fact often strongly mixed and the wave function fragmented across many irreps. More commonly, the fragmentation across members of a band are similar, which is called a quasidynamical symmetry. In this Letter I explicitly, albeit numerically, construct unitary transformations from a quasidynamical symmetry to a dynamical symmetry, adapting the similarity renormalization group (SRG) in order to transform away the symmetry-mixing parts of the Hamiltonian. In this work, the standard SRG produces unsatisfactory results, forcing the induced dynamical symmetry to be dominated by high-weight irreps irrespective of the original decomposition. Using spectral distribution theory to rederive and diagnose standard SRG, I introduce a new form of SRG. The new SRG transforms a quasidynamical symmetry to a dynamical symmetry, that is, unmixes the mixed symmetries, with intuitively more appealing results.

74 ATOMIC AND MOLECULAR PHYSICS↗

RG-stable parameter relations of a scalar field theory in absence of a symmetry

Abstract The stability of tree-level relations among the parameters of a quantum field theory with respect to renormalization group (RG) running is typically explained by the existence of a symmetry. We examine a toy model of a quantum field theory of two real scalars in which a tree-level relation among the squared-mass parameters of the scalar potential appears to be RG-stable without the presence of an appropriate underlying symmetry. The stability of this relation with respect to renormalization group running can be explained by complexifying the original scalar field theory. It is then possible to exhibit a symmetry that guarantees the relations of relevant beta functions of squared-mass parameters of the complexified theory. Among these relations, we can identify equations that are algebraically identical to the corresponding equations that guarantee the stability of the relations among the squared-mass parameters of the original real scalar field theory where the symmetry of the complexified theory is no longer present.

Haber, Howard E. (ORCID:0000000173388104)↗