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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Majorana bound states with chiral magnetic textures

The aim of this Tutorial is to give a pedagogical introduction into realizations of Majorana fermions, usually termed as Majorana bound states (MBSs), in condensed matter systems with magnetic textures. We begin by considering the Kitaev chain model of “spinless” fermions and show how two “half” fermions can appear at chain ends due to interactions. By considering this model and its two-dimensional generalization, we emphasize intricate relation between topological superconductivity and possible realizations of MBS. We further discuss how “spinless” fermions can be realized in more physical systems, e.g., by employing the spin-momentum locking. Next, we demonstrate how magnetic textures can be used to induce synthetic or fictitious spin–orbit interactions, and, thus, stabilize MBS. We describe a general approach that works for arbitrary textures and apply it to skyrmions. We show how MBS can be stabilized by elongated skyrmions, certain higher order skyrmions, and chains of skyrmions. We also discuss how braiding operations can be performed with MBS stabilized on magnetic skyrmions. Furthermore, this Tutorial is aimed at students at the graduate level.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Point-Defect-Localized Bound States in the Continuum in Photonic Crystals and Structured Fibers

In this work, we show that point defects in two-dimensional photonic crystals can support bound states in the continuum (BICs). The mechanism of confinement is a symmetry mismatch between the defect mode and the Bloch modes of the photonic crystal. These BICs occur in the absence of band gaps and therefore provide an alternative mechanism to confine light. Furthermore, we show that such BICs can propagate in a fiber geometry and exhibit arbitrarily small group velocity which could serve as a platform for enhancing nonlinear effects and light-matter interactions in structured fibers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Positron-molecule bound states and positive ion production

The interaction was studied of low energy positrons with large molecules such as alkanes. These data provide evidencce for the existence of long lived resonances and bound states of positrons with neutral molecules. The formation process and the nature of these resonances are discussed. The positive ions produced when a positron annihilates with an electron in one of these resonances were observed and this positive ion formation process is discussed. A review is presented of the current state of the understanding of these positron-molecule resonances and the resulting positive ion formation. A number of outstanding issues in this area is also discussed.

Leventhal, M.↗
DOE OSTI2022

Spin-polarized imaging of the antiferromagnetic structure and field-tunable bound states in kagome magnet FeSn

Abstract Kagome metals are an exciting playground for the explorations of novel phenomena at the intersection of topology, electron correlations and magnetism. The family of FeSn-based kagome magnets in particular attracted a lot of attention for simplicity of the layered crystal structure and tunable topological electronic band structure. Despite a significant progress in understanding their bulk properties, surface electronic and magnetic structures are yet to be fully explored in many of these systems. In this work, we focus on a prototypical kagome metal FeSn. Using a combination of spin-averaged and spin-polarized scanning tunneling microscopy, we provide the first atomic-scale visualization of the layered antiferromagnetic structure at the surface of FeSn. In contrast to the field-tunable electronic structure of cousin material Fe 3 Sn 2 that is a ferromagnet, we find that electronic density-of-states of FeSn is robust to the application of external magnetic field. Interestingly, despite the field insensitive electronic band structure, FeSn exhibits bound states tied to specific impurities with large effective moments that strongly couple to the magnetic field. Our experiments provide microscopic insights necessary for theoretical modeling of FeSn and serve as a spring board for spin-polarized measurements of topological magnets in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Theoretical study of the low-lying bound states of O2

It is demonstrated that a complete-active-space self-consistent-field (CASSCF) (2p)/MRCI + Q (multireference configuration interaction with a Davidson correction) description in a (13s8p6d 4f2g)/((5s4p3d 2f1g) atomic natural orbits (ANO) basis set supplemented with diffuse functions provides a quantitative description of the six lowest states of O2. The calculated potentials are within 0.05 eV (1.2 kilocal/mol) of accurate experimental results. The importance of substantially expanding the primitive basis set has been investigated, and it is demonstrated that such expansions yield insignificant improvement in the spectroscopic constants. Potential energy curves have also been reported for the weakly bound states of O2. The 5Pi(g) state is estimated to have a D(e) of 0.16 +/- 0.03 eV. The upper bound of D(e) is found to be sufficiently large that the importance of this state as a precursor for the formation of O2 (b 1Sigma(t)(+)) and O(1S) should be reconsidered.

Partridge, Harry↗
DOE OSTI2024

Quantum dynamics of positron-hydrogen scattering and three-body bound state formation with an assisting laser field: predictions of a reduced-dimensionality model

Abstract We investigate the quantum dynamics of target excitation and positronium formation in the positron-hydrogen atom scattering without and with an external assisting laser field within a reduced-dimensional quantum model. Strong interference fringes between the incident and reflected positron wave packets are observed in the reaction region. We further investigate the critical behavior of transition probabilities near the channel-opening thresholds for hydrogen excitation and positronium formation and find a strong competition between channels with similar threshold energies, but different parities. The transmission ratios of the incident positron in different reaction channels are calculated, and it is shown that only positronium formation in the ground state prefers forward scattering. Our simulation of the positron-hydrogen scattering with an assisting laser field indicates that the three-particle bound states can be formed during the collisions due to the photon emission induced by the external laser field.

Optics↗
DOE OSTI2020

Few-Body Bound States and Resonances in Finite Volume

Since the pioneering work of Lüscher in the 1980s it is well known that considering quantum systems in finite volume, specifically, finite periodic boxes, can be used as a powerful computational tool to extract physical observables. While this formalism has been worked out in great detail in the two-body sector, much effort is currently being invested into deriving analogous relations for systems with more constituents. This work is relevant not only for nuclear physics, where lattice methods are now able to calculate few- and many-nucleon states, but also for other fields such as simulations of cold atoms. This article discusses recent progress regarding the extraction of few-body bound-state and resonance properties from finite-volume calculations of systems with an arbitrary number of constituents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

All-optical tuning of symmetry protected quasi bound states in the continuum

We demonstrate all-optical switching of high quality factor quasibound states in the continuum resonances in broken symmetry GaAs metasurfaces. By slightly breaking the symmetry of the GaAs nanoresonators, we enable leakage of symmetry protected bound states in the continuum (BICs) to free space that results in sharp spectral resonances with high quality factors of ~500. We tune the resulting quasi-BIC resonances with ultrafast optical pumping at 800 nm and observe a 10 nm spectral blue shift of the resonance with pump fluences of less than 100 μJ cm -2 . The spectral shift is achieved in an ultrafast time scale (<2.5 ps) and is caused by a shift in the refractive index mediated by the injection of free carriers into the GaAs resonators. An absolute reflectance change of 0.31 is measured with 150 μJ cm -2 . Our results demonstrate a proof-of-concept that these broken symmetry metasurfaces can be modulated or switched at ultrafast switching speeds with higher contrast at low optical fluences (<100 μJ cm-2) than conventional Mie-metasurfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nanostructured $\mathrm{GaAs/(Al,Ga)As}$ Waveguide for Low-Density Polariton Condensation from a Bound State in the Continuum

Exciton-polaritons are hybrid light-matter states that arise from strong coupling between an exciton resonance and a photonic cavity mode. As bosonic excitations, they can undergo a phase transition to a condensed state that can emit coherent light without a population inversion. This aspect makes them good candidates for thresholdless lasers, yet short exciton-polariton lifetime has made it difficult to achieve condensation at very low power densities. In this sense, long-lived symmetry-protected states are excellent candidates to overcome the limitations that arise from the finite mirror reflectivity of monolithic microcavities. In this work we use a photonic symmetry-protected bound state in the continuum coupled to an excitonic resonance to achieve state-of-the-art polariton condensation threshold in a GaAs/(Al,Ga)As waveguide. Most important, we show the influence of fabrication control and how surface passivation via atomic layer deposition provides a way to reduce exciton quenching at the grating sidewalls.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Radiative Electronic Bound States in the Continuum from Defects in Semiconductors

Continuum-buried defect states in semiconductors are generally expected to be optically inactive because of their strong coupling to continuum bands. Here, we show that such defects can instead host radiative electronic bound states in the continuum (BICs) using the silicon G center as a prototypical example. Hybrid functional first-principles calculations with a Hubbard U correction reveal that a localized defect state, initially buried below the valence band maximum (VBM) in the ground state, undergoes exchange-driven energy-level reordering under optical excitation and shifts above the VBM. This exchange-induced transition suppresses nonradiative decay and enables a robust radiative emission. By computing temperature-dependent nonradiative lifetimes and comparing them to experimental photoluminescence (PL) lifetimes, we quantitatively reproduce the observed temperature dependence of the emission. These results uncover a stabilization mechanism for continuum-embedded defect states and establish electronic BICs as a general paradigm for designing defect-based optical systems, including quantum emitters and qubits.

Hong, SeongYun↗
NASA NTRS1992

Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

Maung, Khin Maung↗
DOE OSTI2020

Zero-energy bound states in the high-temperature superconductors at the two-dimensional limit

Majorana zero modes (MZMs) that obey the non-Abelian statistics have been intensively investigated for potential applications in topological quantum computing. The prevailing signals in tunneling experiments “fingerprinting” the existence of MZMs are the zero-energy bound states (ZEBSs). However, nearly all of the previously reported ZEBSs showing signatures of the MZMs are observed in difficult-to-fabricate heterostructures at very low temperatures and additionally require applied magnetic field. Here, by using in situ scanning tunneling spectroscopy, we detect the ZEBSs upon the interstitial Fe adatoms deposited on two different high-temperature superconducting one-unit-cell iron chalcogenides on SrTiO 3 (001). The spectroscopic results resemble the phenomenological characteristics of the MZMs inside the vortex cores of topological superconductors. Our experimental findings may extend the MZM explorations in connate topological superconductors toward an applicable temperature regime and down to the two-dimensional (2D) limit.

Science & Technology - Other Topics↗
DOE OSTI2021

The Low-Lying Electronic States of NO 2 : Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum

Nitrogen dioxide, NO 2 , is a free radical composed of the two most abundant elements in Earth’s atmosphere, nitrogen and oxygen, and is relevant to atmospheric and combustion chemistry. The electronic structure of even its lowest-lying states is remarkably complex, with various conical intersections and Renner–Teller pairings, giving rise to complex and perturbed vibronic states. Here we report some analysis of the 18 molecular states of doublet spin-multiplicity formed by combining ground-state N( 4 S u ) and O( 3 P g ) atoms. In this work, three-dimensional potential energy surfaces were fit at the MRCI(Q)-F12/VTZ-F12 level, describing the lowest four ($\tilde X$, $\tilde A$, $\tilde B$, and $\tilde C$) electronic states. A properties-based diabatization procedure was applied to accommodate the intersections, producing energies in a quasidiabatic representation and yielding couplings that were also fit into surfaces. The low-lying vibrational levels on the ground $\tilde X$ state were computed and compared with experimental measurements. Compared to experiment, the lowest 125 calculated vibrational levels (up to 8500 cm –1 above the zero-point energy) have a root-mean-squared error of 16.5 cm –1 . In addition, dipole moments for each of the lowest four electronic states—and the transition dipoles between them—were also computed and fit. With the coupled energy and dipole surfaces, the electronic spectrum was calculated in absolute intensity and compared with experimental measurements. Detailed structure in the experimental spectrum was successfully reproduced, and the total integrated intensity matches experiment to an accuracy of ~1.5% with no empirical adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Beyond Conventional Sensing: Hybrid Plasmonic Metasurfaces and Bound States in the Continuum

Fano resonances result from the strong coupling and interference between a broad background state and a narrow, almost discrete state, leading to the emergence of asymmetric scattering spectral profiles. Under certain conditions, Fano resonances can experience a collapse of their width due to the destructive interference of strongly coupled modes, resulting in the formation of bound states in the continuum (BIC). In such cases, the modes are simultaneously localized in the nanostructure and coexist with radiating waves, leading to an increase in the quality factor, which is virtually unlimited. In this work, we report on the design of a layered hybrid plasmonic-dielectric metasurface that facilitates strong mode coupling and the formation of BIC, resulting in resonances with a high quality factor. We demonstrate the possibility of controlling Fano resonances and tuning Rabi splitting using the nanoantenna dimensions. We also experimentally demonstrate the generalized Kerker effect in a binary arrangement of silicon nanodisks, which allows for the tuning of the collective modes and creates new photonic functionalities and improved sensing capabilities. Our findings have promising implications for developing plasmonic sensors that leverage strong light-matter interactions in hybrid metasurfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Observation of spin-polarized directive coupling of light at bound states in the continuum

Spin-polarized directive coupling of light associated with the photonic quantum spin-Hall effect (QSHE) is a nanoscale phenomenon based on strong spin–orbit interaction that has recently attracted significant attention. Herein, we discuss the experimental manifestation of QSHE intrinsic in the Bloch waves associated with a bound state in the continuum (BIC) of a dielectric photonic crystal metasurface (PhCM). We show numerically that BICs in nanoscale PhCMs have photonic spin angular momentum density transverse to the orbital momentum not only at the interfaces but also inside the confining dielectric medium. Then, we experimentally demonstrate that the fundamental Bloch waves of the BIC mode, macroscopically amplified on resonance, propagate along the symmetry axes of the PhCM obeying spin-momentum locking also at normal incidence, i.e., with no symmetry breaking. This BIC-enhanced spin-directive coupling of light may enable versatile implementations of spin-optical structures, paving the way for novel photonic spin multiplatform devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Twisted moiré photonic crystal enabled optical vortex generation through bound states in the continuum

The twisted stacking of two layered crystals has led to the emerging moiré physics as well as intriguing chiral phenomena such as chiral phonon and photon generation. In this work, we identified and theoretically formulated a non-trivial twist-enabled coupling mechanism in twisted bilayer photonic crystal (TBPC), which connects the bound state in the continuum (BIC) mode to the free space through the twist-enabled channel. Moreover, the radiation from TBPC hosts an optical vortex in the far field with both odd and even topological orders. We quantitatively analyzed the twist-enabled coupling between the BIC mode and other non-local modes in the photonic crystals, giving rise to radiation carrying orbital angular momentum. The optical vortex generation is robust against geometric disturbance, making TBPC a promising platform for well-defined vortex generation. As a result, TBPCs not only provide a new approach to manipulating the angular momentum of photons, but may also enable novel applications in integrated optical information processing and optical tweezers. Our work broadens the field of moiré photonics and paves the way toward the novel application of moiré physics.

42 ENGINEERING↗
DOE OSTI2021

Achieving extreme light confinement in low-index dielectric resonators through quasi-bound states in the continuum

Obtaining large field enhancement in low-refractive-index dielectric materials is highly relevant to many photonic and quantum optics applications. However, confining light in these materials is challenging, owing to light leakage through coupling to continuum modes in the surrounding environment. Here, we investigate the possibility of achieving high quality factors in low-index dielectric resonators through the bound states in the continuum (BIC). Our simulations demonstrate that destructive interference between leaky modes can be achieved by tuning the geometrical parameters of the resonator arrays, leading to the emergence of quasi-BIC in resonators that have a small index contrast to the underlying substrates. The resultant large field enhancement gives rise to giant quality factors and Purcell effects. By introducing vertical mirror symmetry, the quasi-BIC can be tuned into an ideal BIC. In addition, the quasi-BIC can modify the emission patterns of the coupled emitters, rendering highly directional and focused far-field emission. These findings may provide a path for the practical implementation of photonic and quantum devices based on low-index dielectric materials.

42 ENGINEERING↗
DOE OSTI2020

Two-magnon bound states in the Kitaev model in a [111] field

It is now well established that the Kitaev honeycomb model in a magnetic field along the [111] direction harbors an intermediate gapless quantum spin liquid (QSL) phase sandwiched between a gapped non-Abelian QSL at low fields $H < H_{c1}$ and a partially polarized phase at high fields $H > H_{c2}$. Here, we analyze the low-field and high-field phases and phase transitions in terms of single- and two-magnon excitations using exact diagonalization and density matrix renormalization group methods. In this work, we find that the energy to create a bound state of two-magnon $Δ_p$ becomes lower than the energy to create a single spin flip $Δ_s$ near $H_{c2}$. In the entire Kitaev spin liquid, $Δ_p < Δ_s$ and both gaps vanish at $H_{c2}$. We make testable predictions for magnon pairing that could be observable in Raman scattering measurements on Kitaev QSL candidate materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗