Search NASA⌕ Search

SEARCH · Search NASA

Results for “Quantum structures”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Imaging electrostatically confined Dirac fermions in graphene quantum dots

Electrostatic confinement of charge carriers in graphene is governed by Klein tunnelling, a relativistic quantum process in which particle-hole transmutation leads to unusual anisotropic transmission at p-n junction boundaries. Reflection and transmission at these boundaries affect the quantum interference of electronic waves, enabling the formation of novel quasi-bound states. Here we report the use of scanning tunnelling microscopy to map the electronic structure of Dirac fermions confined in quantum dots defined by circular graphene p-n junctions. The quantum dots were fabricated using a technique involving local manipulation of defect charge within the insulating substrate beneath a graphene monolayer. Inside such graphene quantum dots we observe resonances due to quasi-bound states and directly visualize the quantum interference patterns arising from these states. Outside the quantum dots Dirac fermions exhibit Friedel oscillation-like behaviour. Bolstered by a theoretical model describing relativistic particles in a harmonic oscillator potential, our findings yield insights into the spatial behaviour of electrostatically confined Dirac fermions.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2007

640 x 512 Pixels Long-Wavelength Infrared (LWIR) Quantum-Dot Infrared Photodetector (QDIP) Imaging Focal Plane Array

Epitaxially grown self-assembled. InAs-InGaAs-GaAs quantum dots (QDs) are exploited for the development of large-format long-wavelength infrared focal plane arrays (FPAs). The dot-in-a-well (DWELL) structures were experimentally shown to absorb both 45 degrees and normal incident light, therefore, a reflection grating structure was used to enhance the quantum efficiency. The devices exhibit peak responsivity out to 8.1 micrometers, with peak detectivity reaching approximately 1 X 10(exp 10) Jones at 77 K. The devices were fabricated into the first long-wavelength 640 x 512 pixel QD infrared photodetector imaging FPA, which has produced excellent infrared imagery with noise equivalent temperature difference of 40 mK at 60-K operating temperature.

quantum dots (QDs)↗
DOE OSTI2024

Determination of Pion and Kaon Structure Using the Sullivan Process at Moderate to large Fractional Momentum

Significant progress has been made in describing the structure of hadrons in terms of Quantum ChromoDynamics (QCD) degrees of freedom. The recently developed framework of Generalized Parton Distribtions (GPDs) may provide the path towards three-dimensional imaging of the hadronic structure. Integrating the GPDs over the fractional momentum (x), the form factors are obtained which are integrally related to understanding the emergent hadron mass-generating mechanism (EHM) embedded in QCD and the mass-scale that characterizes the proton [Roberts (2016)]. The Sullivan process, in which one scatters electrons off the proton?s virtual meson cloud and thus creates a meson target, is used to probe this structure. Studies of kaon electroproduction offer unique opportunities in this. The last two decades saw a dramatic improvement in the precision of charged meson form factor data, and new results have become available on the transition form factor. The KaonLT experiment (E12-09-011) carried out in Hall C at Jefferson Lab (Jlab) was designed to measure longitudinal/transverse (L/T) separated kaon cross sections required to access form factors and GPDs [Bosted et al. (2008)]. KaonLT aimed to confirm the exclusive kaon electroproduction mechanism, which is essential for determining the kaon form factor and investigating GPDs. The results obtained from this experiment have provided the highest Q2 for L-T separated kaon electroproduction cross section, and it is the first time that a separated kaon cross-section measurement has been carried out above W = 2:2GeV.

Trotta, Richard↗
DOE OSTI2014

Low energy electron induced cytosine base release in 2′-deoxycytidine-3′-monophosphate via glycosidic bond cleavage: A time-dependent wavepacket study

Low energy electron (LEE) induced cytosine base release in a selected pyrimidine nucleotide, viz., 2′-deoxycytidine-3′-monophosphate is investigated using ab initio electronic structure methods and time dependent quantum mechanical calculations. It has been noted that the cytosine base scission is comparatively difficult process than the 3′ C–O bond cleavage from the lowest π{sup *} shape resonance in energy region <1 eV. This is mainly due to the high activation energy barrier associated with the electron transfer from the π{sup *} orbital of the base to the σ{sup *} orbital of the glycosidic N–C bond. In addition, the metastable state formed after impinging LEE (0–1 eV) has very short lifetime (10 fs) which may decay in either of the two competing auto-detachment or dissociation process simultaneously. On the other hand, the selected N–C mode may cleave to form the cytosine base anion at higher energy regions (>2 eV) via tunneling of the glycosidic bond. Resonance states generated within this energy regime will exist for a duration of ∼35–55 fs. Comparison of salient features of the two dissociation events, i.e., 3′ C–O single strand break and glycosidic N–C bond cleavage in 3′-dCMPH molecule are also provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quantum Confined Stark Effect and Temperature Dependencies of Photoluminescence of InAs Quantum Dots Coupled with AlGaAs/GaAs Two Dimensional Electron Gas

In this work, Experimental study of the influence of internal electric field and the temperature on the photoluminescence of InAs self assembled quantum dots inserted in AlGaAs/GaAs modulation doped hetero-structure have been investigated. The internal electric field is controlled by an appropriate design of the hetero-structure. We have observed a red shift of the photoluminescence position peaks result from the quantum confined Stark effect due to the local electric field existing in the structure. Estimation values of the internal electric field have been obtained through carrier’s densities values in interface of AlGaAs/GaAs hetero-junction. An anomalous dependence of the full width at half maximum with temperature has been found, which attributed to the carrier’s dynamics between InAs quantum dots layer and the two-dimensional electron gas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Quantum effects on the dynamics and properties of soft materials

The quantum effects of nuclear and electronic motion play an important role in the structure, dynamics, and function of soft materials, yet they are difficult to capture with conventional classical simulations or static electronic–structure methods. In this work several complementary approaches for treating quantum effects in polymeric and soft–matter systems are demonstrated, with a focus being on the hydrogen-bonded networks, ion and charge transport, and photoactive chromophores. The proton transfer, tunneling, and isotope effects are captured within the reduced-dimensionality models by implementing grid-based nuclear quantum dynamics in terms of the discrete variable and Fourier bases. The nuclear quantum dynamics is extended to larger systems by employing the quantum trajectories and quantum–thermal bath schemes combined with on-the-fly electronic structure, enabling the description of high-dimensional polymeric environments at feasible cost. The dynamics in the electronic degrees of freedom, simulating the optical response in large chromophores such as chlorophylls, is performed using the real-time time-dependent density functional theory implemented in the real-space multigrid (RMG) code. These approaches are demonstrated on case studies of the proton and hydroxide transport in hydrated polymer membranes, charge transfer in conjugated polymers, and the optical spectra of chlorophyll chromophores relevant to polymerized chlorophyll materials and chlorophyll–polymer hybrids. The reviewed methods and applications highlight practical routes of including quantum effects in simulations of soft functional materials.

Garashchuk, Sophya [Univ. of South Carolina, Colum↗
DOE OSTI2021

Celestial amplitudes from UV to IR

Celestial amplitudes represent 4D scattering of particles in boost, rather than the usual energy-momentum, eigenstates and hence are sensitive to both UV and IR physics. We show that known UV and IR properties of quantum gravity translate into powerful constraints on the analytic structure of celestial amplitudes. For example the soft UV behavior of quantum gravity is shown to imply that the exact four-particle scattering amplitude is meromorphic in the complex boost weight plane with poles confined to even integers on the negative real axis. Would-be poles on the positive real axis from UV asymptotics are shown to be erased by a flat space analog of the AdS resolution of the bulk point singularity. The residues of the poles on the negative axis are identified with operator coefficients in the IR effective action. Far along the real positive axis, the scattering is argued to grow exponentially according to the black hole area law. Exclusive amplitudes are shown to simply factorize into conformally hard and conformally soft factors. The soft factor contains all IR divergences and is given by a celestial current algebra correlator of Goldstone bosons from spontaneously broken asymptotic symmetries. The hard factor describes the scattering of hard particles together with the boost-eigenstate clouds of soft photons or gravitons required by asymptotic symmetries. These provide an IR safe S-matrix for the scattering of hard particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Lattice disorder effect on magnetic ordering of iron arsenides

This study investigates magnetic ordering temperature in nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal structures and chemical compositions, the ordering temperature is harder to pinpoint due to potential local lattice variations that calculations may not account for. In this work we find surprisingly that a locally disordered material can exhibit a significantly larger Néel temperature (T N ) than an ordered material of precisely the same chemical stoichiometry. Here, a EuFe 2 As 2 crystal, which is a ‘122’ parent of iron arsenide superconductors, is found through synthesis to have ordering below T N = 195 K (for the locally disordered crystal) or T N = 175 K (for the ordered crystal). In the higher T N crystals, there are shorter planar Fe-Fe bonds [2.7692(2) Å vs. 2.7745(3) Å], a randomized in-plane defect structure, and diffuse scattering along the [00 L] crystallographic direction that manifests as a rather broad specific heat peak. For the lower T N crystals, the a-lattice parameter is larger and the in-plane microscopic structure shows defect ordering along the antiphase boundaries, giving a larger T N and a higher superconducting temperature (T c ) upon the application of pressure. First-principles calculations find a strong interaction between c-axis strain and interlayer magnetic coupling, but little impact of planar strain on the magnetic order. Neutron single-crystal diffraction shows that the low-temperature magnetic phase transition due to localized Eu moments is not lattice or disorder sensitive, unlike the higher-temperature Fe sublattice ordering. This study demonstrates a higher magnetic ordering point arising from local disorder in 122.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Role of Molecular Simulations in the Design of Metal–Organic Frameworks for Gas-Phase Thermocatalysis: A Perspective

Here, metal organic frameworks (MOFs) are highly tunable porous crystalline solids with spatially and electronically isolated catalytically active sites that have been demonstrated for a variety of thermo-, redox-, and photocatalytic reactions. Their tunable natures and relatively well-defined active sites make them advantageous for catalyst design, and molecular simulations have proven highly valuable in this endeavor. However, complexities in the MOF structure require advanced simulation strategies that accurately capture quantum chemistry at the strongly correlated transition metal cation active sites, compositional and structural changes caused by finite temperature and pressure reaction conditions, and transport effects in variously sized pore environments. Luckily, several groups have started using such simulation strategies, paving the way for rich opportunities to design MOF catalysts. Herein, we highlight such examples and provide a perspective on the needs for molecular simulations in the design of MOF catalysts moving forward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Light-Front Field Theory on Current Quantum Computers

We present a quantum algorithm for simulation of quantum field theory in the light-front formulation and demonstrate how existing quantum devices can be used to study the structure of bound states in relativistic nuclear physics. Specifically, we apply the Variational Quantum Eigensolver algorithm to find the ground state of the light-front Hamiltonian obtained within the Basis Light-Front Quantization (BLFQ) framework. The BLFQ formulation of quantum field theory allows one to readily import techniques developed for digital quantum simulation of quantum chemistry. This provides a method that can be scaled up to simulation of full, relativistic quantum field theories in the quantum advantage regime. As an illustration, we calculate the mass, mass radius, decay constant, electromagnetic form factor, and charge radius of the pion on the IBM Vigo chip. This is the first time that the light-front approach to quantum field theory has been used to enable simulation of a real physical system on a quantum computer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗
DOE OSTI2014

Relations between environmental noise and electronic coupling for optimal exciton transfer in one- and two-dimensional homogeneous and inhomogeneous quantum systems

Recent studies have indicated that environmental noise may increase energy-transfer efficiency in quantum systems. For homogeneous networks of chromophores previous studies have primarily considered excitonic transport in one-dimensional (linear) networks. In our study, we expand previous research to a two-dimensional fully coupled topology of chromophore molecules. We demonstrate that not only does an optimal dephasing rate exist in both one- and two-dimensional networks but also that it increases in magnitude with increasing coupling strength between chromophores. Optimal transport occurs when the noise quenches the entanglement between local modes that prevent the exciton from moving efficiently to the target site. We find that these results are insensitive to minor site defects such as those found in realistic systems. We contrast these findings to systems with a high degree of inhomogeneity, in which the optimal dephasing rate is largely set by the system topology and does not vary significantly with respect to coupling strength. Our findings have potential applications to systems such as quantum dot arrays and carbon nanotube structures.

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

Search for Isoscalar Resonances in yp ¿ wnp AT GLUEX

The GlueX experiment has produced the world?s largest statistics for peripheral photoproduction of mesons with a goal to search for exotic mesons. This document presents results on the search for possible intermediate resonances which decay to ??. Little is known for the states seen in this decay channel such as the ?(1420) and ?(1650). This channel also allows to search for the never seen exotics JPC = 0??, 2+?, and the elusive 2??. The ?, in this reaction, is identified via the ?+???0 decay mode and the ? and ?0 are identified via the decay to 2?. Data from the GlueX Phase I was analyzed. This data was obtained at the Thomas Jefferson National Accelerator Facility utilizing the GlueX detector and a tagged linearly polarized photon beam incident on a liquid hydrogen target. A model using the expected major wave contributors, 1+? and 1??, shows two structure in the region where the ?(1420) and ?(1650) are expected. A third structure is seen at threshold with the quantum numbers of an h1 resonance, however, more studies are needed to assert the nature of this structure. Instabilities on the m = ±1 were shown to come from mathematical ambiguities. This only occurs between the m = 1 and m = ?1 projections when both reflectivities are present in close amount. Expanding the intensity equation for a single wave allows to extract coefficients that can help describe the data. A tangent study is also presented in this document which consists on a direct fit to the lineshape of an isolated N(1535). This baryonic resonance is well established, but its Breit-Wigner parameters have only been obtained from partial wave analysis. In contrast, this study obtained the Breit-Wigner parameters using a direct fit and finds the value of the width to be 70.5± 9.2 MeV; this is half of the accepted value.

Barriga, Edmundo↗
DOE OSTI2023

Edge-Confined Excitons in Monolayer Black Phosphorus

Quantum confinement of two-dimensional excitons in van der Waals materials via electrostatic trapping, lithographic patterning, Moiré potentials, and chemical implantation has enabled significant advances in tailoring light emission from nanostructures. While such approaches rely on complex preparation of materials, natural edges are a ubiquitous feature in layered materials and provide a different approach for investigating quantum-confined excitons. Here, we observe that certain edge sites of monolayer black phosphorus (BP) strongly localize the intrinsic quasi-one-dimensional excitons, yielding sharp spectral lines in photoluminescence, with nearly an order of magnitude line width reduction. Through structural characterization of BP edges using transmission electron microscopy and first-principles GW plus Bethe–Salpeter equation (GW-BSE) calculations of exemplary BP nanoribbons, we find that certain atomic reconstructions can strongly quantum-confine excitons resulting in distinct emission features, mediated by local strain and screening. Here we observe linearly polarized luminescence emission from edge reconstructions that preserve the mirror symmetry of the parent BP lattice, in agreement with calculations. Furthermore, we demonstrate efficient electrical switching of localized edge excitonic luminescence, whose sites act as excitonic transistors for emission. Localized emission from BP edges motivates exploration of nanoribbons and quantum dots as hosts for tunable narrowband light generation, with future potential to create atomic-like structures for quantum information processing applications as well as exploration of exotic phases that may reside in atomic edge structures.

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

Final Report

This project focused on investigating the prospects of two-dimensional (2D) materials, transition metal dichalcogenides (TMDs) and graphene, for developing nanostructures that are potentially useful for quantum science. These materials class exhibit a range of fascinating electronic and optical properties and, due to their sub-nanometer thickness, are particularly well suited for confining electronic quantum states in atomic-size structures. The project involved developing first-principles calculations that can predict coherent lifetimes of defects; theoretical schemes for identifying new platforms suitable for studying the dynamics of driven quantum systems; and optical and electronic spectroscopy characterization of novel defects and heterostructures with the aim of creating the next generation of materials for quantum science. This report provides a brief background into the project, highlights some of the major achievements accomplished within the projects and lists the supported publications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Development and application of InAsP/InP quantum well infrared detector

InAs{sub x}P{sub 1-x}/InP quantum wells grown using metal organic vapor phase epitaxy are investigated for infrared detector applications. The structural parameters of the QWs are evaluated from high resolution x-ray diffraction. The electronic transition energies measured from surface photo voltage and photoconductivity confirms that these QWs can be used for fabricating IR detectors in the wide wavelength range, i.e. 0.9–1.46 µm by inter-band transitions and 7–18 µm by inter-sub-band transitions. Subsequently the functionality of one such fabricated InAs{sub x}P{sub 1-x}/InPQW detector is verified by measuring the photoluminescence of suitable semiconductor quantum well structure. At the request of all authors of the paper, and with the agreement of the Proceedings Editor, an updated version of this article was published on 24 June 2016. The original version supplied to AIP Publishing contained an error in the Figures 1 and 2 where the right side of the images were cutoff. The error has been corrected in the updated and re-published article.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Broadband mixing of ${\mathscr{P}}{\mathscr{T}}$-symmetric and ${\mathscr{P}}{\mathscr{T}}$-broken phases in photonic heterostructures with a one-dimensional loss/gain bilayer

Combining loss and gain components in one photonic heterostructure opens a new route to efficient manipulation by radiation, transmission, absorption, and scattering of electromagnetic waves. Therefore, loss/gain structures enabling $${\mathscr{P}}{\mathscr{T}}$$-symmetric and $${\mathscr{P}}{\mathscr{T}}$$-broken phases for eigenvalues have extensively been studied in the last decade. In particular, translation from one phase to another, which occurs at the critical point in the two-channel structures with one-dimensional loss/gain components, is often associated with one-way transmission. In this report, broadband mixing of the $${\mathscr{P}}{\mathscr{T}}$$-symmetric and $${\mathscr{P}}{\mathscr{T}}$$-broken phases for eigenvalues is theoretically demonstrated in heterostructures with four channels obtained by combining a one-dimensional loss/gain bilayer and one or two thin polarization-converting components (PCCs). The broadband phase mixing in the four-channel case is expected to yield advanced transmission and absorption regimes. Various configurations are analyzed, which are distinguished in symmetry properties and polarization conversion regime of PCCs. The conditions necessary for phase mixing are then discussed. The simplest two-component configurations with broadband mixing are found, as well as the more complex three-component configurations wherein symmetric and broken sets are not yet mixed and appear in the neighbouring frequency ranges. Peculiarities of eigenvalue behaviour are considered for different permittivity ranges of loss/gain medium, i.e., from epsilon-near-zero to high-epsilon regime.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Symmetries of the refined D1/D5 BPS spectrum

We examine the large N 1/4-BPS spectrum of the symmetric orbifold CFT Sym N ( M ) deformed to the supergravity point in moduli space for M = K 3 and T 4 . We consider refinement under both left- and right-moving SU(2) R symmetries of the superconformal algebra, and decompose the spectrum into characters of the algebra. We find that at large N the character decomposition satisfies an unusual property, in which the degeneracy only depends on a certain linear combination of left- and right-moving quantum numbers, suggesting deeper symmetry structure. Furthermore, we consider the action of discrete symmetry groups on these degeneracies, where certain subgroups of the Conway group are known to play a role. We also comment on the potential for larger discrete symmetry groups to appear in the large N limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗