Dimensional crossover of the exchange-correlation energy at the semilocal level

Commonly used semilocal density functional approximations for the exchange-correlation energy fail badly when the true two dimensional limit is approached. We show, using a quasi-two-dimensional uniform electron gas in the infinite barrier model, that the semilocal level can correctly recover the exchange-correlation energy of the two-dimensional uniform electron gas. We derive new exact constraints at the semilocal level for the dimensional crossover of the exchange-correlation energy and we propose a method to incorporate them in any exchange-correlation density functional approximation.Comment: 6 pages, 5 figure

Detection and Estimation Theory

Contains reports on two research projects.Joint Services Electronics Programs (U. S. Army, U. S. Navy, and U.S. Air Force)under Contract DA 28-043-AMC-02536(E

The Effect of 45{\deg} Grain Boundaries and associated Fe particles on Jc and resistivity in Ba(Fe0.9Co0.1)2As2 Thin Films

The anisotropy of the critical current density Jc depends in general on both the properties of the flux lines (such as line tension, coherence length and penetration depth) and the properties of the defects (such as density, shape, orientation etc.). Whereas the Jc anisotropy in microstructurally clean films can be scaled to an effective magnetic field containing the Ginzburg-Landau anisotropy term, it is in general not possible (or only in a limited field range) for samples containing extended defects. Here, the Jc anisotropy of a Co-doped BaFe2As2 sample with 45{\deg} [001] tilt grain boundaries (GBs), i.e. grain boundaries created by 45{\deg} in-plane rotated grains, as well as extended Fe particles is investigated. This microstructure leads to c-axis correlated pinning, both due to the GBs and the Fe particles and manifests in a c-axis peak in the Jc anisotropy at low magnetic fields and a deviation from the anisotropic Ginzburg-Landau scaling at higher fields. Strong pinning at ellipsoidal extended defects, i.e. the Fe particles, is discussed, and the full Jc anisotropy is fitted successfully with the vortex path model. The results are compared to a sample without GBs and Fe particles. 45{\deg} GBs seem to be good pinning centers rather than detrimental to current flow.Comment: 8 pages, 7 figures, CEC-ICMC 2013 proceeding, accepted for publication in Advances in Cryogenic Engineering (Materials

Correlation effects in bistability at the nanoscale: steady state and beyond

The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external bias and the non-equilibrium properties are determined by real-time propagation using both time-dependent density functional theory (TDDFT) and many-body perturbation theory (MBPT). In TDDFT the exchange-correlation effects are described within a recently proposed adiabatic local density approximation (ALDA). In MBPT the electron-electron interaction is incorporated in a many-body self-energy which is then approximated at the Hartree-Fock (HF), second-Born (2B) and GW level. Assuming the existence of a steady-state and solving directly the steady-state equations we find multiple solutions in the HF approximation and within the ALDA. In these cases we investigate if and how these solutions can be reached through time evolution and how to reversibly switch between them. We further show that for the same cases the inclusion of dynamical correlation effects suppresses bistability.Comment: 13 pages, 12 figure

Highly anisotropic energy gap in superconducting Ba(Fe0.9_{0.9}Co0.1_{0.1})2_{2}As2_{2} from optical conductivity measurements

We have measured the complex dynamical conductivity, $\sigma = \sigma_{1} + i\sigma_{2}$, of superconducting Ba(Fe$_{0.9}$Co$_{0.1}$)$_{2}$As$_{2}$ ($T_{c} = 22$ K) at terahertz frequencies and temperatures 2 - 30 K. In the frequency dependence of $\sigma_{1}$ below $T_{c}$, we observe clear signatures of the superconducting energy gap opening. The temperature dependence of $\sigma_{1}$ demonstrates a pronounced coherence peak at frequencies below 15 cm$^{-1}$ (1.8 meV). The temperature dependence of the penetration depth, calculated from $\sigma_{2}$, shows power-law behavior at the lowest temperatures. Analysis of the conductivity data with a two-gap model, gives the smaller isotropic s-wave gap of $\Delta_{A} = 3$ meV, while the larger gap is highly anisotropic with possible nodes and its rms amplitude is $\Delta_{0} = 8$ meV. Overall, our results are consistent with a two-band superconductor with an $s_{\pm}$ gap symmetry.Comment: 6 pages, 4 figures, discussion on pair-barking scattering and possible lifting of the nodes is adde

Time-dependent quantum transport: A practical scheme using density functional theory

We present a computationally tractable scheme of time-dependent transport phenomena within open-boundary time-dependent density-functional-theory. Within this approach all the response properties of a system are determined from the time-propagation of the set of ``occupied'' Kohn-Sham orbitals under the influence of the external bias. This central idea is combined with an open-boundary description of the geometry of the system that is divided into three regions: left/right leads and the device region (``real simulation region''). We have derived a general scheme to extract the set of initial states in the device region that will be propagated in time with proper transparent boundary-condition at the device/lead interface. This is possible due to a new modified Crank-Nicholson algorithm that allows an efficient time-propagation of open quantum systems. We illustrate the method in one-dimensional model systems as a first step towards a full first-principles implementation. In particular we show how a stationary current develops in the system independent of the transient-current history upon application of the bias. The present work is ideally suited to study ac transport and photon-induced charge-injection. Although the implementation has been done assuming clamped ions, we discuss how it can be extended to include dissipation due to electron-phonon coupling through the combined simulation of the electron-ion dynamics as well as electron-electron correlations.Comment: 14 pages, 9 figures, one of which consist of two separate file

The trapping of equatorial magnetosonic waves in the Earth’s outer plasmasphere

Abstract We investigate the excitation and propagation of equatorial magnetosonic waves observed by the Van Allen Probes and describe evidence for a trapping mechanism for magnetosonic waves in the Earth\u27s plasmasphere. Intense equatorial magnetosonic waves were observed inside the plasmasphere in association with a pronounced proton ring distribution, which provides free energy for wave excitation. Instability analysis along the inbound orbit demonstrates that broadband magnetosonic waves can be excited over a localized spatial region near the plasmapause. The waves can subsequently propagate into the inner plasmasphere and remain trapped over a limited radial extent, consistent with the predictions of near-perpendicular propagation. By performing a similar analysis on another observed magnetosonic wave event, we demonstrate that magnetosonic waves can also be trapped within local density structures. We suggest that perpendicular wave propagation is important for explaining the presence of magnetosonic waves in the Earth\u27s plasmasphere at locations away from the generation region. Key Points Magnetosonic waves are excited by ion ring distributions near the plasmapauseMagnetosonic waves are trapped in a limited radial region in the plasmasphereMagnetosonic waves are modulated by local density structures

Innovative interstellar explorer

An interstellar "precursor" mission has been under discussion in the scientific community for at least 30 years. Fundamental scientific questions about the interaction of the Sun with the interstellar medium can only be answered with in situ measurements that such a mission can provide. The Innovative Interstellar Explorer (IIE) and its use of Radioisotope Electric Propulsion (REP) is being studied under a NASA "Vision Mission" grant. Speed is provided by a combination of a high-energy launch, using current launch vehicle technology, a Jupiter gravity assist, and long-term, low-thrust, continuous acceleration provided by an ion thruster running off electricity provided by advanced radioisotope electric generators. A payload of ten instruments with an aggregate mass of ~35 kg and requiring ~30 W has been carefully chosen to address the compelling science questions. The nominal 20-day launch window opens on 22 October 2014 followed by a Jupiter gravity assist on 5 February 2016. The REP system accelerates the spacecraft to a "burnout" speed of 7.8 AU per year at 104 AU on 13 October 2032 (Voyager 1's current speed is ~3.6 AU/yr). The spacecraft will return at least 500 bits per second from at least 200 AU ~30 years after launch. Additional (backup) launch opportunities occur every 13 months to early 2018. In addition to addressing basic heliospheric science, the mission will ensure continued information on the far-heliospheric galactic cosmic ray population after the Voyagers have fallen silent and as the era of human Mars exploration begins

Electron Density Dropout Near Enceladus in the Context of Water-Vapor and Water-Ice

On 12 March 2008, the Cassini spacecraft made a close encounter with the Saturnian moon Enceladus, passing within 52 km of the moon. The spacecraft trajectory was intentionally-oriented in a southerly direction to create a close alignment with the intense water-dominated plumes emitted from the south polar region. During the passage, the Cassini Radio and Plasma Wave System (RPWS) detected two distinct radio signatures: 1) Impulses associated with small water-ice dust grain impacts and 2) an upper hybrid (UH) resonance emission that both intensified and displayed a sharp frequency decrease in the near-vicinity of the moon. The frequency decrease of the UH emission is associated with an unexpectedly sharp decrease in electron density from approximately 90 el/cubic cm to below 20 el/cubic cm that occurs on a time scale of a minute near the closest encounter with the moon. In this work, we consider a number of scenarios to explain this sharp electron dropout, but surmise that electron absorption by ice grains is the most likely process