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  • 1
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] Large-scale applications of high-transition-temperature (high-T c) superconductors, such as their use in superconducting cables, are impeded by the fact that polycrystalline materials (the only practical option) support significantly lower current densities than single ...
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7714-7719 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Heteronuclear molecules have electric dipole moments because of electronic charge transfer among the constituent atoms. Quantum mechanical calculations reproduce the values of observed dipoles quite well, but easy-to-use model theories have so far failed to produce dipole moments in agreement with experiment. By combining density-functional theory and classical concepts, we obtain a simple predictive model for charge transfer which overcomes the shortcomings of earlier models based on the concept of electronegativity equalization. It yields dipole moments for many diatomic molecules and for the water molecule that are in satisfactory agreement with experiment. The model has promise as a supplement of classical molecular dynamics simulations for multicomponent polyatomic systems. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 75 (1999), S. 3787-3789 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report calculations of the transport properties of multiwalled carbon nanotubes based on a scattering-theoretic approach that takes into account scattering within each tube, between tubes, and at the metal contacts. We find that only the outer tube contributes to the conductance, as has been implied by experiments. Referring to experiments performed with liquid-metal contacts, we also explain why the measured conductance is close to an integer number of conductance quanta, when the tubes are immersed in the liquid metal for several hundreds of nanometers and is not an integer when they are immersed for only a few nanometers. Finally, we propose that the observed conductance of only one quantum (instead of the expected two quanta) is due to intertube interactions. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 77 (2000), S. 2560-2562 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report the confirmed occurrence of Fowler–Nordheim hole tunneling in p-4H–SiC metal-oxide-semiconductor capacitor structures. The effective mass for holes in the oxide is found to be in the range of 0.35m–0.52m, where m is the free electron mass. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 78 (2001), S. 1571-1573 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report first-principles calculations in terms of which we describe the role of hydrogen in passivating or activating oxygen complexes in Si. In particular we find that attaching H to a pre-existing oxygen cluster can change the electric activity of the cluster. Furthermore, the addition of a hydrogen atom in the core structure of thermal donors can account for the NL10 electron-paramagnetic-resonance signal. The interaction of H with the thermal-donor-like defects at the Si–SiO2 is also discussed. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 76 (2000), S. 3448-3450 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Experiments and theory have so far demonstrated that single molecules can form the core of a two-terminal device. Here we report first-principles calculations of transport through a benzene-1, 4-dithiolate molecule with a third capacitive terminal (gate). We find that the resistance of the molecule rises from its zero-gate-bias value to a value roughly equal to the quantum of resistance (12.9 kΩ) when resonant tunneling through the π* antibonding orbitals occurs. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 75 (1999), S. 2380-2382 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Atomic resolution Z-contrast scanning transmission electron microscopy reveals preferential nucleation of electron-beam-induced damage in select atomic columns of a Si tilt grain boundary. Atomic scale simulations find that the region of initial damage nucleation corresponds to columns where the formation energies of vacancies and vacancy complexes are very low. The calculations further predict that vacancy accumulation in certain pairs of columns can induce a structural transformation to low-density dislocation "pipes" with all atoms fourfold coordinated. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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