Bozidar Novakovic

Efficient NEGF based quantum transport algorithm with time resolution (TR-QTBM-WBL)

B. Novakovic and G. Klimeck Dec. 2015

Objective:

  • Devise a numerical algorithm for atomistic quantum transport that resolves time.
  • Leverage experience from steady state simulations (QTBM) to increase computational efficiency.

Approach:

  • Inject only relevant lead modes (propagating).
  • Construct Hamiltonian in the mixed space of atomic orbitals plus lead modes.
  • Leverage steady state transfer matrix method for periodic leads.
  • Wide-band limit (WBL).

Results:

  • Speed-up by not injecting numerous decaying modes.
  • Speed-up by not explicitly calculating self-energies and transmission coefficients due to Hamiltonian construction.
  • Wide band approximation accurate at lower frequencies, but reduces Hamiltonian size and increases numerical stability.

Impact:

Bozidar Novakovic's Pages

Biography Time-resolved device characteristics in the ballistic limit Computational efficiency of the time-resolved simulations in the ballistic limit Efficient time-resolved NEGF based quantum transport algorithm Modeling novel steep subthreshold devices for reduced power consumption and short channel effects Fast convergence algorithms for Poisson and transport equations Accurate I-V curves of Si MOSFET and III-V TFET devices Optimal quadrature techniques for device periodic directions. Optimized energy mesh Group Publications

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