Progress on Quantum Transport Simulation Using Empirical Pseudopotentials

By Jingtian Fang1, William Gerard Hubert Vandenberghe1, Massimo V Fischetti1

1. Materials Science and Engineering, University of Texas at Dallas, Richardson, TX

Published on


IWCE 2015 presentation. After performing one-dimensional simulation of electron transport in narrow quantum wires without gate control in (Fang et al., 2014) and (Fu and Fischetti, 2013) using the open boundary-conditions full-band plane-wave transport formalism derived in (Fu, 2013), we now extend the work to simulate three-dimensionally field-effect transistors (FETs) with a gate bias applied and obtain their transport characteristics. We optimize multiple procedures for solving the quantum transport equation (QTE), such as using a selected eigenvalue solver, the fast Fourier transform (FFT), block assignment of matrices, a sparse matrix solver, and parallel computing techniques. With an expanded computing capability, we are able to simulate the transistors in the sub- 1 nm technology node as suggested by the ITRS, which features 5 nm physical gate length, 2 nm body thick6ness, 0.4 nm effective oxide thickness (EOT), 0.6 V power supply voltage, and a multi-gate structure. Here we simulate an armchair graphene nanoribbon (aGNR) FET using a gate all-around architecture and obtain its transport properties. We will discuss the numerics concerning the matrix size of the transport equation, memory consumption, and simulation time.

Sponsored by

Cite this work

Researchers should cite this work as follows:

  • Fang, jingtian, "Progress on quantum transport simulation using empirical pseudopotentials," in Computational Electronics (IWCE) 2015 International Workshop on, DOI: 10.1109/IWCE.2015.7301957

  • Jingtian Fang; William Gerard Hubert Vandenberghe; Massimo V Fischetti (2016), "Progress on Quantum Transport Simulation Using Empirical Pseudopotentials,"

    BibTex | EndNote



North Ballroom, PMU, Purdue University, West Lafayette, IN


  1. nanoelectronics
  2. quantum transport