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Physics Faculty Research & Creative Works

2004

Charge Transfer

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

Electronic Structure And Light-Induced Conductivity Of A Transparent Refractory Oxide, Julia E. Medvedeva, Arthur J. Freeman, Mariana I. Bertoni, Thomas O. Mason Jul 2004

Electronic Structure And Light-Induced Conductivity Of A Transparent Refractory Oxide, Julia E. Medvedeva, Arthur J. Freeman, Mariana I. Bertoni, Thomas O. Mason

Physics Faculty Research & Creative Works

Combined first-principles and experimental investigations reveal the underlying mechanism responsible for a drastic change of the conductivity (by 10 orders of magnitude) following hydrogen annealing and UV irradiation in a transparent oxide, 12CaO · 7Al2O3, found by Hayashi et al. [Nature (London) 419, 462 (2002).] The charge transport associated with photoexcitation of an electron from H- occurs by electron hopping.We identify the atoms participating in the hops, determine the exact paths for the carrier migration, estimate the temperature behavior of the hopping transport, and predict a way to enhance the conductivity by specific doping.


Comparison Of Hyperspherical Versus Common-Reaction-Coordinate Close-Coupling Methods For Ion-Atom Collisions At Low Energies, Anh-Thu Le, C. D. Lin, L. F. Errea, L. Mendez, A. Riera, B. Pons Jun 2004

Comparison Of Hyperspherical Versus Common-Reaction-Coordinate Close-Coupling Methods For Ion-Atom Collisions At Low Energies, Anh-Thu Le, C. D. Lin, L. F. Errea, L. Mendez, A. Riera, B. Pons

Physics Faculty Research & Creative Works

We present detailed comparisons between the two quantal approaches--hyperspherical close-coupling and common-reaction-coordinate close-coupling methods--on an exemplary case of He²⁺ + H(1s) collisions at center-of-mass energy from 20eV up to 1.6keV. It is shown that the partial-wave charge-transfer cross sections from the two approaches agree very well at low energy below 200eV down to 30eV. This good agreement is a strong indication of the validity of both methods. The small difference at very low energies and the convergence with respect to the number of channels in both approaches at higher energies are also discussed.


Protonium Formation In The P̅-H Collision At Low Energies By A Diabatic Approach, M. Hesse, Anh-Thu Le, C. D. Lin May 2004

Protonium Formation In The P̅-H Collision At Low Energies By A Diabatic Approach, M. Hesse, Anh-Thu Le, C. D. Lin

Physics Faculty Research & Creative Works

We present a diabatization technique in combination with the recently developed hyperspherical close coupling (HSCC) method. In contrast to the strict diabatization, our simple diabatization procedure transforms only sharp avoided crossings in the adiabatic hyperspherical potential curves into real crossings. With this approach, the weak collision channels can be removed from the close-coupling calculations. This method is used to study the antiproton-hydrogen collision at low energies. In the case of a scaled down (anti)proton mass, we show that a 10-channel calculation is enough to obtain converged cross sections at low energies. The results also indicate that protonium formation occurs mostly …