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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electronic structure calculations of twisted multi-layer graphene superlattices

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and studied, a systematic investigation of the properties of arbitrarily layered graphene assemblies is still lacking. We introduce theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. We provide a critical discussion of patterns and trends in tight binding band structures and we identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in the combined use of physics-based and data-driven modeling for the systematic refinement of knowledge about 2D layered materials, with implications for the development of novel quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Broken Luttinger theorem in the two-dimensional Fermi-Hubbard model

One of the fundamental questions about high-temperature cuprate superconductors is the size of the Fermi surface underlying the superconducting state. By analyzing the single-particle spectral function for the Fermi-Hubbard model as a function of repulsion U and chemical potential μ, we find that the Fermi surface in the normal state undergoes a transition from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the “Luttinger breaking” phase, as the Mott insulator is approached. This transition into a non-Fermi-liquid phase that violates the Luttinger count occurs at a critical density in the absence of any other broken symmetry. We obtain the Fermi-surface contour from the spectral weight A k (ω = 0) and from an analysis of the singularities of the Green's function Re G k (E = 0), calculated using determinantal quantum Monte Carlo and analytic continuation methods. We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy, and angle-resolved photoemission spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Emergent Halperin–Saslow mode, gauge glass and quenched disorders in quantum Ising magnet TmMgGaO 4

Quenched disorders could bring novel quantum excitations and models to certain quantum magnets. Motivated by recent experiments on the quantum Ising magnet TmMgGaO 4 , we explore the effects of the quenched disorder and the interlayer coupling in this triangular lattice Ising antiferromagnet. It is pointed out that the weak quenched (nonmagnetic) disorder would convert the emergent 2D Berezinskii–Kosterlitz–Thouless (BKT) phase and the critical region into a U(1) gauge glass. There will be an emergent Halperin–Saslow mode associated with this gauge glass. Using the Imry-Ma’s renormalization group result, we explain the fate of the finite-field [Formula: see text] symmetry breaking transition at the low temperatures. The ferromagnetic interlayer coupling would suppress the BKT phase and generate a tiny ferromagnetism. With quenched disorders, this interlayer coupling changes the 2D gauge glass into a 3D gauge glass, and the Halperin–Saslow mode persists. This work merely focuses on addressing a phase regime in terms of emergent U(1) gauge glass behaviors and hope to inspire future works and thoughts in weakly disordered frustrated magnets in general.

Physics↗
DOE OSTI2022

Ultra-low loss visible light waveguides for integrated atomic, molecular, and quantum photonics

Atomic, molecular and optical (AMO) visible light systems are the heart of precision applications including quantum, atomic clocks and precision metrology. As these systems scale in terms of number of lasers, wavelengths, and optical components, their reliability, space occupied, and power consumption will push the limits of using traditional laboratory-scale lasers and optics. Visible light photonic integration is critical to advancing AMO based sciences and applications, yet key performance aspects remain to be addressed, most notably waveguide losses and laser phase noise and stability. Additionally, a visible light integrated solution needs to be wafer-scale CMOS compatible and capable of supporting a wide array of photonic components. While the regime of ultra-low loss has been achieved at telecommunication wavelengths, progress at visible wavelengths has been limited. Here, we report the lowest waveguide losses and highest resonator Qs to date in the visible range, to the best of our knowledge. We report waveguide losses at wavelengths associated with strontium transitions in the 461 nm to 802 nm wavelength range, of 0.01 dB/cm to 0.09 dB/cm and associated intrinsic resonator Q of 60 Million to 9.5 Million, a decrease in loss by factors of 6x to 2x and increase in Q by factors of 10x to 1.5x over this visible wavelength range. Additionally, we measure an absorption limited loss and Q of 0.17 dB/m and 340 million at 674 nm. This level of performance is achieved in a wafer-scale foundry compatible Si 3 N 4 platform with a 20 nm thick core and TEOS-PECVD deposited upper cladding oxide, and enables waveguides for different wavelengths to be fabricated on the same wafer with mask-only changes per wavelength. These results represent a significant step forward in waveguide platforms that operate in the visible, opening up a wide range of integrated applications that utilize atoms, ions and molecules including sensing, navigation, metrology and clocks.

Chauhan, Nitesh↗
NASA NTRS1980

Kinetic and photochemical data for atmospheric chemistry reactions of the nitrogen oxides

Data sheets for thermal and photochemical reactions of importance in the atmospheric chemistry of the nitrogen oxides are presented. For each reaction the available experimental data are summarized and critically evaluated, and a preferred value of the rate coefficient is given. The selection of the preferred value is discussed and an estimate of its accuracy is given. For the photochemical process, the data are summarized, and preferred for the photoabsorption cross section and primary quantum yields are given.

Hampson, R. F., Jr.↗
DOE OSTI2020

A 1.2-V 6-GHz Dual-Path Charge-Pump PLL Frequency Synthesizer for Quantum Control and Readout in CMOS 65-nm Process

This paper presents a low jitter dual-path chargepump phase locked loop (PLL) synthesizer in a CMOS 65-nm process for quantum readout applications. The PLL incorporates a programmable dual chargepump and a loop filter with both proportional and integral paths that can be driven independently providing flexible control of the loop bandwidth to achieve low jitter performance. The design is implemented at 300 K and critical blocks like voltage-controlled oscillator (VCO) and chargepump (CP) are analyzed at 77 K based on the characterized results. The LC-VCO is realized with the class-C NMOS only architecture with 5-bit coarse control and quadrature signals are generated with poly phase filter. The VCO is designed with the tuning range of 1 GHz around the center frequency of 6 GHz with Phase Noise of -123 dBc/Hz and -132 dBc/Hz at 1MHz offset at 300 K and 77 K temperature. The simulated PLL rms jitter is 125 fs at 6 GHz with a power consumption of 8 mW at the 1.2 V power supply.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Toward nonthermal control of excited quantum materials: framework and investigations by ultrafast electron scattering and imaging

Quantum material systems upon applying ultrashort laser pulses provide a rich platform to access excited material phases and their transformations that are not entirely like their equilibrium counterparts. The addressability and potential controls of metastable or long-trapped out-of-equilibrium phases have motivated interests both for the purposes of understanding the nonequilibrium physics and advancing the quantum technologies. Thus far, the dynamical spectroscopic probes eminently focus on microscopic electronic and phonon responses. For characterizing the long-range dynamics, such as order parameter fields and fluctuation effects, the ultrafast scattering probes offer direct sensitivity. Bridging the connections between the microscopic dynamics and macroscopic responses is central toward establishing the nonequilibrium physics behind the light-induced phases. Here, we present a path toward such understanding by cross-examining the structure factors associated with different dynamical states obtained from ultrafast electron scattering, imaging, and modeling. We give the basic theoretical framework on describing the non-equilibrium scattering problems and briefly describe how such framework relates to the out-of-equilibrium phenomena. We give effective models outlining the emergences of nonthermal critical points, hidden phases, and non-equilibrium relaxational responses from vacuum-suspended rare-earth tritellurides, tantalum disulfides thin films, and vanadium dioxide nanocrystalline materials upon light excitations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons

A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to L=256 L = 256 sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Critical role of magnetic moments in heavy-fermion materials: Revisiting mysteries of SmB 6

Heavy-fermion family exhibits fascinating and often puzzling properties due to the presence of open-shell f ions and the complexity of the associated charge, orbital, and spin degrees of freedom. SmB 6 is a prototypical heavy-fermion compound that is electrically insulating but yet it displays quantum oscillations, which are a telltale signature of the metallic state. Adding to the enigma is the possibility that SmB 6 is a topological Kondo insulator. Here, by treating the spin degree of freedom on an equal footing with other degrees of freedom using the parameter-free strongly-constrained and appropriately-normed (SCAN) density functional, we explore the ground-state electronic structure of SmB6. A number of competing magnetic phases lying very closely in energy are found, indicating the key role of spin fluctuations in the material. The computed band structure, crystal-field splittings in the f-electron complex, the heavy effective electron mass at the Fermi energy, and the large specific heat are all in good agreement with the corresponding experimental results. In particular, our predicted FS explains the experimentally observed bulk quantum oscillations as well as the low electrical conductivity of SmB 6 . The topological Kondo state of SmB6 is shown to be robust regardless of its magnetic configuration. The excellent performance of SCAN in heavy-fermion systems is explained in terms of its ability to treat self-interaction errors and symmetry breaking within the framework of the density functional theory. Our study provides a new approach for modeling heavy-fermion materials

36 MATERIALS SCIENCE↗
DOE OSTI2026

Interplay of Quantum Size Effect and Tensile Strain on Surface Morphology of β-Sn(100) Islands

The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation, respectively. Surface roughness usually manifests in the early stages of film growth and diminishes beyond a critical thickness. In this work, we employ molecular beam epitaxy (MBE) to grow β-Sn(100) islands with varying thickness N on bilayer graphene-terminated 6H-SiC(0001) substrates. Scanning tunneling microscopy and spectroscopy measurements reveal an inverse surface roughness effect that highlights the interplay of QSE and misfit strain in shaping the surface morphology of β-Sn(100) islands. For N ≤ 10, the islands exhibit flat surfaces, while for N ≥ 26, the island surfaces become corrugated and patterned. For the intermediate range, i.e., 12 ≤ N ≤ 24, both flat and patterned surfaces coexist, with the percentage coverage of the patterned surface oscillating as a function of N. By performing density functional theory calculations, we demonstrate that the unusual surface pattern evolution in our MBE-grown β-Sn(100) islands is a result of the interplay between QSE-induced surface roughing and tensile strain-induced smoothening effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Misanthropic entropy and renormalization as a communication channel

A central physical question is the extent to which infrared (IR) observations are sufficient to reconstruct a candidate ultraviolet (UV) completion. We recast this question as a problem of communication, with messages encoded in field configurations of the UV being transmitted to the IR degrees of freedom via a noisy channel specified by renormalization group (RG) flow, with noise generated by coarse graining/decimation. We present an explicit formulation of these considerations in terms of lattice field theory, where we show that the “misanthropic entropy” — the mutual information obtained from decimating neighbors — encodes the extent to which information is lost in marginalizing over/tracing out UV degrees of freedom. Our considerations apply both to statistical field theories as well as density matrix renormalization of quantum systems, where in the quantum case, the statistical field theory analysis amounts to a leading-order approximation. As a concrete example, we focus on the case of the 2D Ising model, where we show that the misanthropic entropy detects the onset of the phase transition at the Ising model critical point.

Physics↗
NASA NTRS2006

Various Ambiguities in Re-constructing Laser Pulse Parameters

We think that mode lock laser pulses are generated by the summation process that take place between the monochromatic EM filed frequencies as if they interact with each other as shown in equation 1. In reality, the pulse generation is a collaborative interaction process between EM fields and various material medium. When we carry out the actual mode lock analysis, we do take into account of interpaly between all the temporal dynamics of the cavity gain medium, cavity round trip time and the response time of the intra cavity element (saturable absorber, Kerr medium, etc.). that really enforces the locking of the phase of the cavity spontaneous emissions. On a conceptual level, this simplistic representation of the mode locking by Eq.1 ignores all these critical physical processes. When we try to analyze a pulsed field, again we start by representing it very much like this equation, even though we can only detect the square modulus of this complex field and loose a lot of phase related information to the detectors quantum whims and their time constants. The key parameters for a light pulse are as follows. Foremost is the (i) carrier frequency, which cannot be described or imagined without its state of undulation expressed as its (ii) phase. Next is our imagined time finite (iii) carrier envelope that provides the temporal boundary of the field amplitude strength of the undulating E-field. The final parameter is the (iv) state of polarization or the unique plane along which the strength of the E-field gradient undulates. None of these filed characteristics are made self-evident to us by the fields themselves. We do not see light. Light does not see light. Light beams pass through each other without altering each others energy distribution unless there are interacting material molecules (dipoles) within the physical volume of superposition of the beams. In contrast, we can sense the material particles. Material particles sense each other and they cannot pass through each other without interacting with (scattering from) each other. Thus the interpretation of the superposition phenomenon of multiple fields on detectors should not be lumped under the mysterious "wave-particle duality" philosophy. The phenomenon of superposition can be understood better when we focus on the actual process experienced by the detecting dipoles when allowed by QM rules, they respond to and sum all the induced stimulations due to all the superposed fields followed by the proportionate energy absorption giving rise to the fringes we observe. We will present various experimental results to illustrate our arguments. Our position is that such detector behavior driven interpretations rather than the generally implied field-field interaction driven explanations, will help us better understand the ultimate nature of light and hence invent better and newer devices and instruments.

Roychoudhuri, Chandrasekhar↗
DOE OSTI2022

Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

Abstract The large tunability of band gaps and optical absorptions of armchair MoS 2 nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe–Salpeter equation approaches. We find that there are three critical bending curvatures, and the non-edge and edge band gaps generally show a non-monotonic trend with bending. The non-degenerate edge gap splits show an oscillating feature with ribbon width n , with a period $$\Delta n=3$$ Δ n = 3 , due to quantum confinement effects. The complex strain patterns on the bent nanoribbons control the varying features of band structures and band gaps that result in varying exciton formations and optical properties. The binding energy and the spin singlet–triplet split of the exciton forming the lowest absorption peak generally decrease with bending curvatures. The large tunability of optical properties of bent MoS 2 nanoribbons is promising and will find applications in tunable optoelectronic nanodevices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced spin pumping in heterostructures of coupled ferrimagnetic garnets

Spin pumping has significant implications for spintronics, providing a mechanism to manipulate and transport spins for information processing. Understanding and harnessing spin currents through spin pumping is critical for the development of efficient spintronic devices. The use of a magnetic insulator with low damping enhances the signal-to-noise ratio in crucial experiments such as spin-torque ferromagnetic resonance (FMR) and spin pumping. A magnetic insulator coupled with a heavy metal or quantum material offers a more straightforward model system, especially when investigating spin-charge interconversion processes to greater accuracy. This simplicity arises from the absence of unwanted effects caused by conduction electrons unlike in ferromagnetic metals. Here, we investigate the spin pumping in coupled ferrimagnetic (FiM) Y 3 Fe 5 O 12 (YIG)/Tm 3 Fe 5 O 12 (TmIG) bilayers combined with heavy-metal (Pt) using the inverse spin Hall effect. It is observed that magnon transmission occurs at both of the FiMs FMR positions. The enhancement of spin pumping voltage (V sp ) in the FiM garnet heterostructures is observed. The plausible reason might be the interfacial exchange coupling between FiMs. The modulation of V sp is achieved by tuning the bilayer structure. Further, the spin mixing conductance for these coupled systems is found to be ≈ 10 18 m –2 . Furthermore, our findings describe a coupled FiM system for the investigation of magnon coupling providing opportunities for magnonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Measurement of the near-threshold 𝐽/𝜓 photoproduction cross section with the CLAS12 experiment

We present measurements of the total and differential cross sections for near-threshold 𝐽/𝜓 photoproduction obtained with the CLAS12 detector at the Thomas Jefferson National Accelerator Facility. The results are based on data collected during the fall 2018 and spring 2019 running periods, using electron beams with energies of 10.6 and 10.2 GeV, respectively, scattered off a liquid-hydrogen target. Near-threshold 𝐽/𝜓 photoproduction offers a unique sensitivity to the strong interaction in the nonperturbative regime of quantum chromodynamics (QCD). The energy dependence of the cross section constrains the underlying 𝐽/𝜓 production mechanisms, including multigluon exchange and potential baryonic excitations. Additionally, the 𝑡 dependence of the differential cross section can be related to the transverse spatial distribution of gluons in the proton, providing critical input for theoretical descriptions of the gluonic structure of the proton. An interpretation of the results in terms of the gluon content of the proton is presented, providing new experimental constraints on QCD-inspired models of the proton structure and the role of gluonic degrees of freedom in hadronic mass generation.

form factors↗
DOE OSTI2020

Perturbative study of the one-dimensional quantum clock model

In this report we calculate the ground-state energy density ε(g) for the one-dimensional N-state quantum clock model up to order 18, where g is the coupling and N = 3,4,5,...,10, 20. Using methods based on the Padé approximation, we extract the singular structure of ε"(g) or ε(g). They correspond to the specific heat and free energy of the classical two-dimensional (2D) clock model. We find that, for N = 3, 4, there is a single critical point at g c = 1. The heat capacity exponent of the corresponding 2D classical model is α = 0.34 ± 0.01 for N = 3, and α = - 0.01 ± 0.01 for N = 4. For N > 4, there are two exponential singularities related by g c1 = 1/g c2 , and ε(g) behaves as Ae - $\frac{c}{|g_c -g|^a}$ + analytic terms near g c . The exponent σ gradually grows from 0.2 to 0.5 as N increases from 5 to 9, and it stabilizes at 0.5 when N > 9. The phase transitions exhibited in these models should be generalizations of the Kosterlitz-Thouless transition, which has σ = 0.5 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Noncollinear spin order, field-induced transitions, and short-range correlations in Cu 4 ⁢SO 4 ⁢(OH) 6

We report a comprehensive study of spin-$\frac{1}{2}$ quantum magnet brochantite, Cu 4 ⁢SO 4 ⁢(OH) 6 , combining high-field thermodynamic measurements, polarized neutron diffraction, inelastic neutron scattering, and nuclear magnetic resonance spectroscopy. Using bulk magnetization and specific heat measurements we construct the magnetic 𝐻−𝑇 phase diagram for magnetic fields applied along main crystallographic directions up to 24.1 T. Polarized neutron diffraction reveals a noncollinear magnetic ground state confined to the 𝑎⁢𝑏 plane. A field-induced transition is observed for magnetic fields in the 𝑎⁢𝑏 plane whose critical field and character evolve continuously with field direction in the 𝑎⁢𝑏 plane. While the transition for 𝐻 ∥ 𝑏 might be a spin-flop-like transition, the one for 𝐻 ∥ 𝑎 resembles the short-range correlated state above 𝑇 N , suggesting a magnetic configuration related to the quasi-two-dimensional correlations in the 𝑏⁢𝑐 planes. The experimental results demonstrate that the ground-state and field-induced phases cannot be explained by a simple XXZ model with a single dominant exchange interaction and that weaker interchain and anisotropic interactions have to be taken into account. Our work establishes brochantite as a low-symmetry Cu-based quantum magnet with noncollinear order and complex field-induced behavior.

Prokhnenko, Oleksandr [Helmholtz-Zentrum Berlin (H↗
DOE OSTI2022

Topological edge modes without symmetry in quasiperiodically driven spin chains

Here we construct an example of a 1d quasiperiodically driven spin chain whose edge states can coherently store quantum information, protected by a combination of localization, dynamics, and topology. In a sharp departure from topological phases in static and periodically driven (Floquet) spin chains, this model does not rely upon microscopic symmetry protection: Instead, the edge states are protected purely by emergent dynamical symmetries. We explore the dynamical signatures of this emergent dynamical symmetry-protected topological (EDSPT) order through exact numerics, time evolving block decimation, and analytic high-frequency expansion, finding evidence that the EDSPT is a stable dynamical phase protected by bulk many-body localization up to (at least) stretched-exponentially long timescales, and possibly beyond. We argue that EDSPTs are special to the quasiperiodically driven setting, and cannot arise in Floquet systems. Moreover, we find evidence of a type of boundary critical with no known static or Floquet analogue, in which the edge spin dynamics transition from quasiperiodic to chaotic, leading to bulk thermalization.

36 MATERIALS SCIENCE↗