Table of Contents Author Guidelines Submit a Manuscript
Journal of Nanomaterials
Volume 2014, Article ID 172169, 5 pages
http://dx.doi.org/10.1155/2014/172169
Research Article

Efficient Ab-Initio Electron Transport Calculations for Heterostructures by the Nonequilibrium Green’s Function Method

1Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573, Japan
2Smart Energy Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba, Ibaraki 305-8501, Japan

Received 14 May 2014; Accepted 29 September 2014; Published 27 October 2014

Academic Editor: Miguel A. Correa-Duarte

Copyright © 2014 Hirokazu Takaki et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. P. Holienberg and W. Kolm, “Inhomogeneous electron gas,” Physical Review, vol. 136, no. 3, pp. B864–B871, 1964. View at Publisher · View at Google Scholar
  2. W. Kohn and L. J. Sham, “Self-consistent equations including exchange and correlation effects,” Physical Review, vol. 140, no. 4A, pp. 1133–1138, 1965. View at Publisher · View at Google Scholar
  3. J. Taylor, H. Guo, and J. Wang, “Ab initio modeling of quantum transport properties of molecular electronic devices,” Physical Review B, vol. 63, no. 24, Article ID 245407, 13 pages, 2001. View at Publisher · View at Google Scholar
  4. M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro, “Density-functional method for nonequilibrium electron transport,” Physical Review B, vol. 65, Article ID 165401, 2002. View at Publisher · View at Google Scholar
  5. H. Haug and A.-P. Jaulio, Quantum Kinetics in Transport and Optics of Semiconductors, Springer, Berlin, Germany, 2nd edition, 2007.
  6. S. Datta, Electronic Transport in Mesoscopic Systems, Cambridge University Press, Cambridge, UK, 1995.
  7. R. A. Evarestov, Quantum Chemistry of Solids The LG AO First Principle Treatment of Crystals, Springer, Berlin, Germany, 2007.
  8. T. Ozaki and H. Kino, “Numerical atomic basis orbitals from H to Kr,” Physical Review B, vol. 69, no. 19, Article ID 195113, 2004. View at Publisher · View at Google Scholar · View at Scopus
  9. J. M. Soler, E. Artacho, J. D. Gale et al., “The SIESTA method for ab initio order-N materials simulation,” Journal of Physics: Condensed Matter, vol. 14, no. 11, p. 2745, 2002. View at Publisher · View at Google Scholar
  10. J. P. Perdew, K. Burke, and M. Ernzerliof, “Generalized gradient approximation made simple,” Physical Review Letters, vol. 77, Article ID 3865, p. 1396, 1996. View at Publisher · View at Google Scholar
  11. L. Kleiiimaii and D. M. Bylander, “Efficacious form for model pseudopotentials,” Physical Review Letters, vol. 48, no. 20, pp. 1425–1428, 1982. View at Publisher · View at Google Scholar