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Application of the R-matrix method in quantum transport simulations

Tight-binding model

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Abstract

The R-matrix method based on a continuous model is generalized as to become applicable to the atomistic transport simulations with a tight-binding device Hamiltonian. The device elements are introduced as arbitrary atomic clusters in the device area and freedom in the device fragmentation can be used to reduce computations. In the ballistic regime, the best computer performance is achieved by taking individual atoms as the device elements. Non-equilibrium current carrying electronic states are constructed by the forward-backward R-matrix propagation scheme which does not require large computer operations and mass storage. The method is applied to quantum transport in p-Si nanowire with random vacancies and surface roughness.

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Authors and Affiliations

  1. Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka, 565-0871, Japan

    Gennady Mil’nikov, Nobuya Mori & Yoshinari Kamakura

  2. CREST, JST, 5 Sanbancho, Chiyoda-ku, Tokyo, 102-0075, Japan

    Gennady Mil’nikov, Nobuya Mori & Yoshinari Kamakura

Authors
  1. Gennady Mil’nikov
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  2. Nobuya Mori
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  3. Yoshinari Kamakura
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Correspondence to Nobuya Mori.

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Mil’nikov, G., Mori, N. & Kamakura, Y. Application of the R-matrix method in quantum transport simulations. J Comput Electron 9, 256–261 (2010). https://doi.org/10.1007/s10825-010-0321-z

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  • DOI: https://doi.org/10.1007/s10825-010-0321-z

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