Discontinuous Galerkin deterministic solvers for a Boltzmann-Poisson model of hot electron transport by averaged empirical pseudopotential band structures

Jose Morales-Escalante Irene M. Gamba Yingda Cheng Armando Majorana Chi-Wang Shu Brown University James Chelikowsky

Numerical Analysis and Scientific Computing mathscidoc:1804.25012

Computer Methods in Applied Mechanics and Engineering, 321, 209-234, 2017
The purpose of this work is to incorporate numerically, in a discontinuous Galerkin (DG) solver of a Boltzmann-Poisson model for hot electron transport, an electronic conduction band whose values are obtained by the spherical averaging of the full band structure given by a local empirical pseudopotential method (EPM) around a local minimum of the conduction band for silicon, as a midpoint between a radial band model and an anisotropic full band, in order to provide a more accurate physical description of the electron group velocity and conduction energy band structure in a semiconductor. This gives a better quantitative description of the transport and collision phenomena that fundamentally define the behaviour of the Boltzmann - Poisson model for electron transport used in this work. The numerical values of the derivatives of this conduction energy band, needed for the description of the electron group velocity, are obtained by means of a cubic spline interpolation. The EPM-Boltzmann-Poisson transport with this spherically averaged EPM calculated energy surface is numerically simulated and compared to the output of traditional analytic band models such as the parabolic and Kane bands, numerically implemented too, for the case of 1D $n^+-n-n^+$ silicon diodes with $400nm$ and $50nm$ channels. Quantitative differences are observed in the kinetic moments related to the conduction energy band used, such as mean velocity, average energy, and electric current (momentum).
Deterministic numerical methods; discontinuous Galerkin schemes; Boltzmann-Poisson systems; empirical pseudopotential method; statistical hot electron transport; semiconductor nano scale devices
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@inproceedings{jose2017discontinuous,
  title={Discontinuous Galerkin deterministic solvers for a Boltzmann-Poisson model of hot electron transport by averaged empirical pseudopotential band structures},
  author={Jose Morales-Escalante, Irene M. Gamba, Yingda Cheng, Armando Majorana, Chi-Wang Shu, and James Chelikowsky},
  url={http://archive.ymsc.tsinghua.edu.cn/pacm_paperurl/20180416101551501582047},
  booktitle={Computer Methods in Applied Mechanics and Engineering},
  volume={321},
  pages={209-234},
  year={2017},
}
Jose Morales-Escalante, Irene M. Gamba, Yingda Cheng, Armando Majorana, Chi-Wang Shu, and James Chelikowsky. Discontinuous Galerkin deterministic solvers for a Boltzmann-Poisson model of hot electron transport by averaged empirical pseudopotential band structures. 2017. Vol. 321. In Computer Methods in Applied Mechanics and Engineering. pp.209-234. http://archive.ymsc.tsinghua.edu.cn/pacm_paperurl/20180416101551501582047.
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