Report on the Implementation and Verification of Low Rank Approximation in the Nonlocal Scattering NEGF Algorithm of NEMO5 for all Transport Situations in Relevant Devices such as in ITRS

  • Authors:
    Tillmann C. Kubis (Purdue), Prasad Sarangapani (Purdue), James Charles (Purdue), Daniel A. Lemus (Purdue), Yuanchen Chu (Purdue), Mykhailo Povolotskyi (Purdue), Gerhard Klimeck (Purdue)
    Publication ID:
    P090021
    Publication Type:
    Deliverable Report
    Received Date:
    31-Dec-2016
    Last Edit Date:
    13-Feb-2017
    Research:
    2653.001 (Purdue University)

Research Report Highlight

NEMO5 has been augmented to support the mode space representations. End-to-end simulation time speedup in charge self-consistent transport calculations of 100x have been achieved for coherent transport situations and 10x for incoherent NEGF calculations.

Abstract

Among the most popular low rank approximations are the mode space approaches, i.e. the transformation of the electronic Hamiltonian of nanowires and ultrathin bodies into a space of selected cross sectional modes. NEMO5 has been augmented to support the best known atomistic mode space representations. For scattering self-energy calculations, two different approaches have been implemented and verified against each other and against exact calculations. End-to-end simulation time speedup factors in charge self-consistent transport calculations of 100x and beyond have been achieved for coherent transport situations and respectable 10x and beyond for incoherent NEGF calculations. In both cases, the results of exact NEGF calculations have been virtually exactly reproduced.

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