NEMO5: Engineering Band Tails and Band to Band Tunneling in III-V Semiconductors

  • Authors:
    Tillmann C. Kubis (Purdue), James Charles (Purdue), Prasad Sarangapani (Purdue), Daniel A. Lemus (Purdue), Yuanchen Chu (Purdue), Gerhard Klimeck (Purdue)
    Publication ID:
    Publication Type:
    Annual Review
    Received Date:
    Last Edit Date:
    2653.001 (Purdue University)


We present on the recent method developments and implementations into NEMO5. Nonlocal scattering self-energies for scattering of electrons on polar optical phonons and charged impurities have been derived, implemented into NEMO5 and verified against Fermi golden rule results and experimental data for Urbach band tail parameters. Very good agreement with both data sets was achieved. Small deviations from Fermi golden rule results were successfully addressed to nonlinear effects that the nonequilibrium Green’s function method can cover (in contrast to the Fermi golden rule). Since these scattering mechanisms are nonlocal by nature, it was an important step in this project to augment the recursive Green’s function method with arbitrary nonlocality. This new method is implemented into NEMO5 and verified against full-inversion results. The low rank approximation capabilities of NEMO5 were further improved to now allow for NEGF calculations in atomistic resolution with incoherent scattering on optical and acoustic deformation potential phonons in only a fraction of the numerical costs of NEGF in real-space representation.

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24 May 2017
Logic and Memory Devices Review
Wednesday, May 24, 2017, 8 a.m.–5 p.m. ET
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