32,949 research outputs found

    Real space first-principles derived semiempirical pseudopotentials applied to tunneling magnetoresistance

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    In this letter we present a real space density functional theory (DFT) localized basis set semi-empirical pseudopotential (SEP) approach. The method is applied to iron and magnesium oxide, where bulk SEP and local spin density approximation (LSDA) band structure calculations are shown to agree within approximately 0.1 eV. Subsequently we investigate the qualitative transferability of bulk derived SEPs to Fe/MgO/Fe tunnel junctions. We find that the SEP method is particularly well suited to address the tight binding transferability problem because the transferability error at the interface can be characterized not only in orbital space (via the interface local density of states) but also in real space (via the system potential). To achieve a quantitative parameterization, we introduce the notion of ghost semi-empirical pseudopotentials extracted from the first-principles calculated Fe/MgO bonding interface. Such interface corrections are shown to be particularly necessary for barrier widths in the range of 1 nm, where interface states on opposite sides of the barrier couple effectively and play a important role in the transmission characteristics. In general the results underscore the need for separate tight binding interface and bulk parameter sets when modeling conduction through thin heterojunctions on the nanoscale.Comment: Submitted to Journal of Applied Physic

    Trajectory generation for road vehicle obstacle avoidance using convex optimization

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    This paper presents a method for trajectory generation using convex optimization to find a feasible, obstacle-free path for a road vehicle. Consideration of vehicle rotation is shown to be necessary if the trajectory is to avoid obstacles specified in a fixed Earth axis system. The paper establishes that, despite the presence of significant non-linearities, it is possible to articulate the obstacle avoidance problem in a tractable convex form using multiple optimization passes. Finally, it is shown by simulation that an optimal trajectory that accounts for the vehicle’s changing velocity throughout the manoeuvre is superior to a previous analytical method that assumes constant speed

    Laboratory observation of a nonlinear interaction between shear Alfv\'{e}n waves

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    An experimental investigation of nonlinear interactions between shear Alfv\'{e}n waves in a laboratory plasma is presented. Two Alfv\'{e}n waves, generated by a resonant cavity, are observed to beat together, driving a low frequency nonlinear psuedo-mode at the beat frequency. The psuedo-mode then scatters the Alfv\'{e}n waves, generating a series of sidebands. The observed interaction is very strong, with the normalized amplitude of the driven psuedo-mode comparable to the normalized magnetic field amplitude (δB/B\delta B/B) of the interacting Alfv\'{e}n waves.Comment: 10 pages, 4 figures, submitted to Phys. Rev. Let

    Strain Effects on Point Defects and Chain-Oxygen Order-Disorder Transition in 123-Structure Cuprate Superconductors

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    The energetics of Schottky defects in 123 cuprate superconductor series, REBa2Cu3O7\rm REBa_2Cu_3O_7 (where RE = lanthandies) and YAE2Cu3O7\rm YAE_2Cu_3O_7 (AE = alkali-earths), were found to have unusual relations if one considers only the volumetric strain. Our calculations reveal the effect of non-uniform changes of interatomic distances within the RE-123 structures, introduced by doping homovalent elements, on the Schottky defect formation energy. The energy of formation of Frenkel Pair defects, which is an elementary disordering event, in 123 compounds can be substantially altered under both stress and chemical doping. Scaling the oxygen-oxygen short-range repulsive parameter using the calculated formation energy of Frenkel pair defects, the transition temperature between orthorhombic and tetragonal phases is computed by quasi-chemical approximations (QCA). The theoretical results illustrate the same trend as the experimental measurements in that the larger the ionic radius of RE, the lower the orthorhombic/tetragonal phase transition temperature. This study provides strong evidence of the strain effects on order-disorder transition due to oxygens in the CuO chain sites.Comment: In print Phys Rev B (2004
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