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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Quantum Hall effect in HgTe quantum wells at nitrogen temperatures

We report on the observation of quantized Hall plateaus in a system of two-dimensional Dirac fermions, implemented in a 6.6 nm HgTe quantum well at magnetic fields up to 34 T at nitrogen temperatures. The activation energies determined from the temperature dependence of the longitudinal resistivity are found to be almost equal for the filling factors ν of 1 and 2. This indicates that the large values of the g-factor (about 30–40) remain unchanged at very strong magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Classification of constraints and degrees of freedom for quadratic discrete actions

We provide a comprehensive classification of constraints and degrees of freedom for variational discrete systems governed by quadratic actions. This classification is based on the different types of null vectors of the Lagrangian two-form and employs the canonical formalism developed in Dittrich and Höhn [“Constraint analysis for variational discrete systems,” J. Math. Phys. 54, 093505 (2013); e-print http://arxiv.org/abs/arXiv:1303.4294 [math-ph]] and Höhn [“Quantization of systems with temporally varying discretization I: Evolving Hilbert spaces,” J. Math. Phys. 55, 083508 (2014); e-print http://arxiv.org/abs/arXiv:1401.6062 [gr-qc]]. The analysis is carried out in both the classical and quantum theory and applies to systems with both temporally varying or constant discretization. In particular, it is shown explicitly how changes in the discretization, e.g., resulting from canonical coarse graining or refining operations or an evolving background geometry, change the dynamical content of the system. It is demonstrated how, on a temporally varying discretization, constraints, Dirac observables, symmetries, reduced phase spaces, and physical Hilbert spaces become spacetime region dependent. These results are relevant for free field theory on an evolving lattice and linearized discrete gravity models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Cavity-photon-switched coherent transient transport in a double quantum waveguide

We study a cavity-photon-switched coherent electron transport in a symmetric double quantum waveguide. The waveguide system is weakly connected to two electron reservoirs, but strongly coupled to a single quantized photon cavity mode. A coupling window is placed between the waveguides to allow electron interference or inter-waveguide transport. The transient electron transport in the system is investigated using a quantum master equation. We present a cavity-photon tunable semiconductor quantum waveguide implementation of an inverter quantum gate, in which the output of the waveguide system may be selected via the selection of an appropriate photon number or “photon frequency” of the cavity. In addition, the importance of the photon polarization in the cavity, that is, either parallel or perpendicular to the direction of electron propagation in the waveguide system is demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Angular dependent study on ferromagnetic resonance and spin excitations by spin rectification

We report angular dependent spin rectification spectra which are applied to studying spin excitations in single permalloy stripe. Based on planar Hall effect, those spin excitations generate special resonant dc Hall voltages, which have been characterized as functions of the amplitude and direction of applied magnetic field. Through high angular resolution 2D mappings, the evolutions of different spin excitation can be directly presented, and the dynamic magnetic parameters such as the gyromagnetic ratio, effective exchange field, as well as the quantized numbers of standing spin waves can be accurately determined through fitting the angular evolution of each resonance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Classical integrability for beta-ensembles and general Fokker-Planck equations

Beta-ensembles of random matrices are naturally considered as quantum integrable systems, in particular, due to their relation with conformal field theory, and more recently appeared connection with quantized Painlevé Hamiltonians. Here, we demonstrate that, at least for even integer beta, these systems are classically integrable, e.g., there are Lax pairs associated with them, which we explicitly construct. To come to the result, we show that a solution of every Fokker-Planck equation in one space (and one time) dimensions can be considered as a component of an eigenvector of a Lax pair. The explicit finding of the Lax pair depends on finding a solution of a governing system–a closed system of two nonlinear partial differential equations (PDEs) of hydrodynamic type. This result suggests that there must be a solution for all values of beta. We find the solution of this system for even integer beta in the particular case of quantum Painlevé II related to the soft edge of the spectrum for beta-ensembles. The solution is given in terms of Calogero system of β/2 particles in an additional time-dependent potential. Thus, we find another situation where quantum integrability is reduced to classical integrability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A{sub 1} symmetry on the 9a{sub 1} momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

We introduce a necessary and sufficient condition for an arbitrary wavefunction to be collinear, i.e., its spin is quantized along some axis. It may be used to obtain a cheap and simple computational procedure to test for collinearity in electronic structure theory calculations. We adapt the procedure for Generalized Hartree Fock (GHF), and use it to study two dissociation pathways in CO{sub 2}. For these dissociation processes, the GHF wave functions transform from low-spin Unrestricted Hartree Fock (UHF) type states to noncollinear GHF states and on to high-spin UHF type states, phenomena that are succinctly illustrated by the constituents of the collinearity test. This complements earlier GHF work on this molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Quadrupole second harmonic generation and sum-frequency generation in ZnO quantum dots

The second harmonic generation (SHG) and the sum frequency generation (SFG) processes are investigated in the conduction band states of the singly charged ZnO quantum dot (QD) embedded in the HfO{sub 2}, and the AlN matrices. With two optical fields of frequency ω{sub p} and ω{sub q} incident on the dot, we study the variation with frequency of the second order nonlinear polarization resulting in SHG and SFG, through the electric dipole and the electric quadrupole interactions of the pump fields with the electron in the dot. We obtain enhanced value of the second order nonlinear susceptibility in the dot compared to the bulk. The effective mass approximation with the finite confining barrier is used for obtaining the energy and wavefunctions of the quantized confined states of the electron in the conduction band of the dot. Our results show that both the SHG and SFG processes depend on the dot size, the surrounding matrix and the polarization states of the pump beams.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Rough surface electrical contact resistance considering scale dependent properties and quantum effects

The objective of this work is to evaluate the effect of scale dependent mechanical and electrical properties on electrical contact resistance (ECR) between rough surfaces. This work attempts to build on existing ECR models that neglect potentially important quantum- and size-dependent contact and electrical conduction mechanisms present due to the asperity sizes on typical surfaces. The electrical conductance at small scales can quantize or show a stepping trend as the contact area is varied in the range of the free electron Fermi wavelength squared. This work then evaluates if these effects remain important for the interface between rough surfaces, which may include many small scale contacts of varying sizes. The results suggest that these effects may be significant in some cases, while insignificant for others. It depends on the load and the multiscale structure of the surface roughness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Growth and characterization of (110) InAs quantum well metamorphic heterostructures

An understanding of the growth of (110) quantum wells (QWs) is of great importance to spin systems due to the observed long spin relaxation times. In this article, we report on the metamorphic growth and characterization of high mobility undoped InAs (110) QWs on GaAs (110) substrates. A low-temperature nucleation layer reduces dislocation density, results in tilting of the subsequent buffer layer and increases the electron mobility of the QW structure. The mobility varies widely and systematically (4000–16 000 cm{sup 2}/Vs at room temperature) with deposition temperature and layer thicknesses. Low-temperature transport measurements exhibit Shubnikov de-Haas oscillations and quantized plateaus in the quantum Hall regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Capacitive coupling in hybrid graphene/GaAs nanostructures

Coupled hybrid nanostructures are demonstrated using the combination of lithographically patterned graphene on top of a two-dimensional electron gas (2DEG) buried in a GaAs/AlGaAs heterostructure. The graphene forms Schottky barriers at the surface of the heterostructure and therefore allows tuning the electronic density of the 2DEG. Conversely, the 2DEG potential can tune the graphene Fermi energy. Graphene-defined quantum point contacts in the 2DEG show half-plateaus of quantized conductance in finite bias spectroscopy and display the 0.7 anomaly for a large range of densities in the constriction, testifying to their good electronic properties. Finally, we demonstrate that the GaAs nanostructure can detect charges in the vicinity of the heterostructure's surface. This confirms the strong coupling of the hybrid device: localized states in the graphene ribbon could, in principle, be probed by the underlying confined channel. The present hybrid graphene/GaAs nanostructures are promising for the investigation of strong interactions and coherent coupling between the two fundamentally different materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

On the control of spin-boson systems

In this paper, we study the so-called spin-boson system, namely, a two-level system in interaction with a distinguished mode of a quantized bosonic field. We give a brief description of the controlled Rabi and Jaynes–Cummings models and we discuss their appearance in the mathematics and physics literature. We then study the controllability of the Rabi model when the control is an external field acting on the bosonic part. Applying geometric control techniques to the Galerkin approximation and using perturbation theory to guarantee non-resonance of the spectrum of the drift operator, we prove approximate controllability of the system, for almost every value of the interaction parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Analysis of lasers as a solution to efficiency droop in solid-state lighting

This letter analyzes the proposal to mitigate the efficiency droop in solid-state light emitters by replacing InGaN light-emitting diodes (LEDs) with lasers. The argument in favor of this approach is that carrier-population clamping after the onset of lasing limits carrier loss to that at threshold, while stimulated emission continues to grow with injection current. A fully quantized (carriers and light) theory that is applicable to LEDs and lasers (above and below threshold) is used to obtain a quantitative evaluation. The results confirm the potential advantage of higher laser output power and efficiency above lasing threshold, while also indicating disadvantages including low efficiency prior to lasing onset, sensitivity of lasing threshold to temperature, and the effects of catastrophic laser failure. As a result, a solution to some of these concerns is suggested that takes advantage of recent developments in nanolasers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Energy level transitions of gas in a 2D nanopore

An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Phase space trajectories and Lyapunov exponents in the dynamics of an alpha-helical protein lattice with intra- and inter-spine interactions

The nonlinear dynamics of intra- and inter-spine interaction models of alpha-helical proteins is investigated by proposing a Hamiltonian using the first quantized operators. Hamilton's equations of motion are derived, and the dynamics is studied by constructing the trajectories and phase space plots in both cases. The phase space plots display a chaotic behaviour in the dynamics, which opens questions about the relationship between the chaos and exciton-exciton and exciton-phonon interactions. This is verified by plotting the Lyapunov characteristic exponent curves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Rotational dynamics of a diatomic molecular ion in a Paul trap

We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical and the other where the center-of-mass motion is treated classically, while rotational motion is quantized. We study the rotational dynamics and their influence on the motion of the center-of-mass, in the presence of the coupling between the permanent dipole moment of the ion and the trapping electric field. We show that the presence of the permanent dipole moment affects the trajectory of the ion and that it departs from the Mathieu equation solution found for atomic ions. For the case of quantum rotations, we also evidence the effect of the above-mentioned coupling on the rotational states of the ion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Irreversible magnetization switching at the onset of superconductivity in a superconductor ferromagnet hybrid

We demonstrate that the magnetic state of a superconducting spin valve, that is normally controlled with an external magnetic field, can also be manipulated by varying the temperature which increases the functionality and flexibility of such structures as switching elements. In this case, switching is driven by changes in the magnetostatic energy due to spontaneous Meissner screening currents forming in the superconductor below the critical temperature. Our scanning Hall probe measurements also reveal vortex-mediated pinning of the ferromagnetic domain structure due to the pinning of quantized stray fields in the adjacent superconductor. The ability to use temperature as well as magnetic field to control the local magnetisation structure raises the prospect of potential applications in magnetic memory devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗