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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A numerical study of bounds in the correlations of fractional quantum Hall states

We numerically compute the guiding center static structure factor \bar S(k) S ‾ ( k ) of various fractional quantum Hall (FQH) states to \mathcal{O}(k\ell)^6 𝒪 ( k ℓ ) 6 where k k is the wavenumber and \ell ℓ is the magnetic length. Employing density matrix renormalization group on an infinite cylinder of circumference L_y L y , we study the two-dimensional limit using L_y/\xi \gg 1 L y / ξ ≫ 1 , where \xi ξ is the correlation length. The main findings of our work are: 1) the ground states that deviate away from the ideal conformal block wavefunctions, do not saturate the Haldane bound, and 2) the coefficient of O(k\ell)^6 O ( k ℓ ) 6 term appears to be bounded above by a value predicted by field theories proposed in the literature. The first finding implies that the graviton mode is not maximally chiral for experimentally relevant FQH states.

Kumar, Prashant (ORCID:0000000258002768)↗
DOE OSTI2020

Enhancing easy-plane anisotropy in bespoke Ni(II) quantum magnets

We examine the crystal structures and magnetic properties of several S = 1 Ni(II) coordination compounds, molecules and polymers, that include the bridging ligands HF 2 - , A F 6 2- ( A = Ti, Zr) and pyrazine or non-bridging ligands F - , SiF 6 2- , glycine, H 2 O, 1-vinylimidazole, 4-methylpyrazole and 3-hydroxypyridine. Pseudo-octahedral NiN 4 F 2 , NiN 4 O 2 or NiN 4 OF cores consist of equatorial Ni-N bonds that are equal to or slightly longer than the axial Ni- L ax bonds. By design, the zero-field splitting ( D ) is large in these systems and, in the presence of substantial exchange interactions ( J ), can be difficult to discriminate from magnetometry measurements on powder samples. Thus, we relied on pulsed-field magnetization in those cases and employed electron-spin resonance (ESR) to confirm D when J ← D . The anisotropy of each compound was found to be easy-plane ( D > 0) and range from ≈ 8–25 K. This work reveals a linear correlation between the ratio d (Ni- L ax )/ d (Ni-N eq ) and D although the ligand spectrochemical properties may play an important role. We assert that this relationship allows us to predict the type of magnetocrystalline anisotropy in tailored Ni(II) quantum magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Efficient photon extraction from a quantum dot in a broad-band planar cavity antenna

We analyse the extraction of photons emitted from single InAs quantum dots embedded in planar microcavities. The structures are designed to achieve broad-band operation and high-collection efficiency from a device requiring straightforward fabrication, even with electrical contacts. The designs consist of a quantum dot in a GaAs membrane with asymmetric top and bottom mirrors and a top-side solid immersion lens (SIL). Four separate cases are considered in our design: a GaAs membrane only (case 1), GaAs membrane with a glass SIL on top (case 2), a GaAs membrane with a glass SIL on top and a back mirror consisting of Au (case 3), a GaAs membrane with a glass SIL on top of a distribute Bragg reflector mirror and Au back mirror (case 4). Both finite difference time domain and analytical simulations are used to calculate the electric field, power density, and far-field radiation pattern. For optimized structures (case 4), we obtain significant extraction efficiencies (>50%) with modest Purcell enhancements (∼20%) and a large spectral full-width-half-maximum (>100 nm). The high-extraction efficiency, broad-band operation, and facile fabrication make the proposed structures promising for realistic quantum dot devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Signatures of atomic-scale structure in the energy dispersion and coherence of a Si quantum-dot qubit

In this paper, we report anomalous behavior in the energy dispersion of a three-electron double-quantum-dot hybrid qubit and argue that it is caused by atomic-scale disorder at the quantum-well interface. By employing tight-binding simulations, we identify potential disorder profiles that induce behavior consistent with the experiments. The results indicate that disorder can give rise to “sweet spots” where the decoherence caused by charge noise is suppressed, even in a parameter regime where true sweet spots are unexpected. Conversely, “hot spots” where the decoherence is enhanced can also occur. Our results suggest that interfacial atomic structure can be used in particular cases as a tool to enhance the fidelity of Si double-dot qubits.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Detection of Hole Pockets in the Candidate Type-II Weyl Semimetal MoTe 2 from Shubnikov-de Haas Quantum Oscillations

We report the bulk electronic structure of T d -MoTe 2 features large hole Fermi pockets at the Brillouin zone center (Γ) and two electron Fermi surfaces along the Γ-X direction. However, the large hole pockets, whose existence has important implications for the Weyl physics of T d -MoTe 2 , has never been conclusively detected in quantum oscillations. This raises doubt about the realizability of Majorana states in T d -MoTe 2 , because these exotic states rely on the existence of Weyl points, which originated from the same band structure predicted by density functional theory (DFT). Here, we report an unambiguous detection of these elusive hole pockets via Shubnikov–de Haas (SdH) quantum oscillations. At ambient pressure, the quantum oscillation frequencies for these pockets are 988 and 1513 T, when the magnetic field is applied along the c axis. The quasiparticle effective masses m* associated with these frequencies are 1.50 and 2.77 m e , respectively, indicating the importance of Coulomb interactions in this system. We further measure the SdH oscillations under pressure. At 13 kbar, we detected a peak at 1798 T with m* = 2.86 m e . Relative to the oscillation data at a lower pressure, the amplitude of this peak experienced an enhancement, which can be attributed to the reduced curvature of the hole pockets under pressure. Combining our experimental data with DFT +U calculations, where U is the Hubbard parameter, our results shed light on why these important hole pockets have not been detected until now.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

On optimizing Jacobi–Davidson method for calculating eigenvalues in low dimensional structures using eight band k · p model

The paper presents two ways of improving the Jacobi–Davidson method for calculating the eigenvalues and eigenvectors described by eight-band k · p model for quantum dots and other low dimensional structures. First, the method is extended by the application of time reversal symmetry operator. This extension allows efficient calculations of the twofold degeneracy present in the multiband k · p model and other interior eigenvalues. Second, the preconditioner for the indefinite matrix which comes from the discretization of the eight band k · p Hamiltonian is presented. The construction of this preconditioner is based on physical considerations about energy band structure in the k · p model. On the basis of two real examples, it is shown that the preconditioner can significantly shorten the time needed to calculate the interior eigenvalues, despite the fact that the memory usage of the preconditioner and Hamiltionian is comparable. Finally, some technical details for implementing the eight band k · p Hamiltonian and the eigensolver are provided.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2015

Nanostructured Quantum Dots or Dashes in Photovoltaic Devices and Methods Thereof

A photovoltaic device includes one or more structures, an array of at least one of quantum dots and quantum dashes, at least one groove, and at least one conductor. Each of the structures comprises an intrinsic layer on one of an n type layer and a p type layer and the other one of the n type layer and the p type layer on the intrinsic layer. The array of at least one of quantum dots and quantum dashes is located in the intrinsic layer in at least one of the structures. The groove extends into at least one of the structures and the conductor is located along at least a portion of the groove.

Raffaele, Ryne P.↗
DOE OSTI2025

Probing Surface Plasmon Dynamics in Periodic Nanostructures through Ultrafast Electron Microscopy

Surface plasmon polaritons (SPPs) can be manipulated to localize and guide light in subwavelength distances, enabling them to find applications in a wide range of areas, from sensing to quantum computing. Among several methods of SPP excitation, periodic arrays of nano- and microstructures are of particular interest, as they enable engineering SPP properties through structural parameters. Here, in this study, using the photon-induced near-field electron microscopy (PINEM) technique, we investigated the mode formation, coupling, interference, and decay of SPPs in square and hexagonal arrays of circular nanoholes under both visible and near-infrared excitation. Polarization-resolved analysis revealed the key factors governing SPP localization and interference patterns, showing that the periodicity and symmetry of the array primarily determine the SPP interference patterns and their orientation, while pump polarization mainly modulates their intensity. Time-resolved PINEM measurements demonstrated the spatial dependence of the SPP temporal characteristics. In addition, cathodoluminescence (CL) spectroscopy was employed to examine the intrinsic plasmonic characteristics of the structure. Finite difference time domain (FDTD) simulations showed strong agreement with both PINEM and CL measurements on the spatial and spectral behavior of SPPs. Understanding the spatiotemporal dynamics of SPPs on nanostructures beyond the diffraction limit is crucial for optimizing plasmonic structures for advanced photonic and quantum technologies.

Plasmonics↗
DOE OSTI2019

Optical absorption spectroscopy in hybrid systems of plasmons and excitons

Understanding the physics of light emitters in quantum nanostructures regarding scalability, geometry, structure of the system and coupling between different degrees of freedom is important as one can improve the design and further provide rigorous controls of quantum devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Tuning spin–orbit coupling in (6,5) single-walled carbon nanotube doped with sp 3 defects

Single-walled carbon nanotubes (SWCNTs) containing sp 3 defects are a promising class of optoelectronic materials with bright photoluminescence and demonstrated single-photon emission. Using density functional theory simulations, complemented by measurements, we investigate the electronic structure of a series of quantum defects attached to (6,5) SWCNT with the goal of tuning the spin–orbit coupling by introduction of a heavy atom in the defect structure. We characterize the ground state electronic and spin properties of four synthesized and three potential defects on the tube and find that all of the synthesized defects considered introduce a localized midgap defect-centered state containing a single electron, ≈0.2–0.3 eV above the valence band. The spin density is located at the sp 3 defect site with negligible spin–orbit coupling even with the presence of a Pd atom. Three additional functional groups were tested via computation to increase spin localization near the metal, thereby increasing spin–orbit coupling. We predict that only the chlorodiphosphanepalladium(II)– [Cl(PH 3 ) 2 Pd(II)–] defect results in increased spin–orbit splitting of the defect state and the conduction band associated with the pristine-like SWCNT, a measure of the spin–orbit coupling of excited state transitions. This study suggests that for unpassivated sp 3 defects in (6,5) SWCNT, forming a direct bond between a heavy atom and the sp 3 carbon allows for tuning of spin–orbit coupling.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Toward quantum plasmonic networks

Here, we demonstrate the transduction of macroscopic quantum entanglement by independent, distant plasmonic structures embedded in separate thin silver films. In particular, we show that the plasmon-mediated transmission through each film conserves spatially dependent, entangled quantum images, opening the door for the implementation of parallel quantum protocols, super-resolution imaging, and quantum plasmonic sensing geometries at the nanoscale level. The conservation of quantum information by the transduction process shows that continuous variable multi-mode entanglement is momentarily transferred from entangled beams of light to the space-like separated, completely independent plasmonic structures, thus providing a first important step toward establishing a multichannel quantum network across separate solid-state substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Disorder effects on resonant hole tunneling transport in (Ga,Mn)As/GaAs heterostructures

Recent experiments on resonant tunneling structures comprising (Ga,Mn)As quantum wells [Ohya et al., Nature Physics 7, 342 (2011)] have evoked strong debates about the near absence of resonant tunneling features and ferromagnetic order observed in these structures. Here, we present a theoretical examination of a GaAs/(Ga,Mn)As double barrier structure, studying the self-consistent interplay between ferromagnetic order, structural defects, and the hole tunnel current. The hole band structure is described by a four band Kohn-Luttinger Hamiltonian and the transport characteristics are obtained within the non-equilibrium Green’s function approach taking into account space charge effects. We show that disorder has a strong influence on the current-voltage characteristics in efficiently reducing or even washing out negative differential conductance, as found in experiment. We find that for the Be lead doping levels used in experiment the resulting spin density polarization in the quantum well is too small to produce sizable exchange splittings.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Stationary solutions of the Dirac equation in the gravitational field of a charged black hole

A stationary solution of the Dirac equation in the metric of a Reissner-Nordstroem black hole has been found. Only one stationary regular state outside the black hole event horizon and only one stationary regular state below the Cauchy horizon are shown to exist. The normalization integral of the wave functions diverges on both horizons if the black hole is non-extremal. This means that the solution found can be only the asymptotic limit of a nonstationary solution. In contrast, in the case of an extremal black hole, the normalization integral is finite and the stationary regular solution is physically self-consistent. The existence of quantum levels below the Cauchy horizon can affect the final stage of Hawking black hole evaporation and opens up the fundamental possibility of investigating the internal structure of black holes using quantum tunneling between external and internal states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The finite difference method in electronic structure calculations

Since the development of quantum mechanics, we know the equations describing the behavior of atoms and electrons at the microscopic level. The Schroedinger equation is however too difficult to solve for more than a few particles because of the high dimensional space of the solution - 3N for N particles. So various simplified models have been developed. Furthermore, the first simplification usually introduced is the Born-Oppenhaimer approximation in which atomic nuclei are treated as classical particles surrounded by quantum electrons.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Multinuclear compounds of s-elements with sterically hindered о-semiquinonates and catecholates

Alkali metals form mutinuclear compounds with redox-active singly and doubly reduced derivatives of sterically of hindered о-benzoquinones. Complexes [Na{sub 6}(Cat){sub 3}(THF){sub 7}]•4THF, [Na{sub 5}(Cat){sub 2}(SQ)(THF){sub 5}], [Na{sub 4}(SQ){sub 4}(THF){sub 4}]•THF•C{sub 6}H{sub 14}, [Na{sub 4}(3,5-SQ){sub 4}(THF){sub 4}], [K{sub 4}(SQ){sub 4}(THF){sub 4}]•4THF and [Li{sub 3}(SQ){sub 3}(THF){sub 3}]•THF (Cat is catecholate, SQ is semiquinonate) possessing high sensitivity to atmospheric oxygen were synthesized and their structures were determined. Magnetochemical measurements and quantum chemical calculations revealed that variation of the alkali metal and/or change in the structure of the polymetallic core significantly affect the energy of exchange interaction between the unpaired electrons of the paramagnetic ligands framing the polynuclear metal core formed by s-elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

InAs quantum dot morphology after capping with In, N, Sb alloyed thin films

Using a thin capping layer to engineer the structural and optical properties of InAs/GaAs quantum dots (QDs) has become common practice in the last decade. Traditionally, the main parameter considered has been the strain in the QD/capping layer system. With the advent of more exotic alloys, it has become clear that other mechanisms significantly alter the QD size and shape as well. Larger bond strengths, surfactants, and phase separation are known to act on QD properties but are far from being fully understood. In this study, we investigate at the atomic scale the influence of these effects on the morphology of capped QDs with cross-sectional scanning tunneling microscopy. A broad range of capping materials (InGaAs, GaAsSb, GaAsN, InGaAsN, and GaAsSbN) are compared. The QD morphology is related to photoluminescence characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗