Real-space pseudopotential method for electron transport properties of nanoscale junctions

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 19, 2006, Pages

  Kong, Lingzhu ^a   Tiago, Murilo L ^a,b   Chelikowsky, James R ^a,b  

^a University of Minnesota   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33646888880     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.195118     Document Type: Article

References (37)

1. Introduction to Molecular Electronics, edited by, M. C. Petty,,, M. R. Bryce,, and, D. Bloor, (Oxford University Press, New York, 1995).
2. A. Aviram and M. A. Ratner, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00759-3 29, 277 (1974).
3. G. Binnig and H. Rohrer, IBM J. Res. Dev. IBMJAE 0018-8646 30, 355 (1986);
4. G. Binnig and H. Rohrer, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.59.615 59, 615 (1987).
5. C. J. Muller, J. M. Van Ruitenbeek, and L. J. de Jongh, Physica C PHYCE6 0921-4534 10.1016/0921-4534(92)90947-B 191, 485 (1992).
6. B. Xu and N. J. Tao, Science SCIEAS 0036-8075 10.1126/science.1087481 301, 1221 (2003);
7. M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science SCIEAS 0036-8075 10.1126/science.278.5336.252 278, 252 (1997);
8. X. D. Cui, A. Primak, X. Zarate, J. Tomfohr, O. F. Sankey, A. L. Moore, T. A. Moore, D. Gust, G. Harris, and S. M. Lindsay, Science SCIEAS 0036-8075 10.1126/science.1064354 294, 571 (2001);
9. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science SCIEAS 0036-8075 10.1126/science.286.5444.1550 286, 1550 (1999).
10. M. Brandbyge, J. Schiøtz, M. R. Sørensen, P. Stoltze, K. W. Jacobsen, J. K. Nørskov, L. Olesen, E. Laegsgaard, I. Stensgaard, and F. Besenbacher, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.8499 52, 8499 (1995).
11. A. L. Yeyati, A. Martín-Rodero, and F. Flores, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.10369 56, 10369 (1997).
12. M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002).
13. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
14. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
15. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.979 84, 979 (2000);
16. Y. Xue and M. A. Ratner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.115406 68, 115406 (2003);
17. G. C. Liang, A. W. Ghosh, M. Paulsson, and S. Datta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.115302 69, 115302 (2004);
18. C. C. Wan, José-Luis Mozos, G. Taraschi, J. Wang, and H. Guo, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.119328 71, 419 (1997);
19. M. Brandbyge, José-Luis Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002);
20. S. V. Faleev, F. Léonard, D. A. Stewart, and M. van Schilfgaarde, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.195422 71, 195422 (2005).
21. S. Datta, Electronic Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, UK, 1997).
22. N. D. Lang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.5335 52, 5335 (1995).
23. H. Ness and A. J. Fisher, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12469 56, 12469 (1997);
24. P. S. Damle, A. W. Ghosh, and S. Datta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.201403 64, 201403 (R) (2001);
25. J. J. Palacios, A. J. Pérez-Jiménez, E. Louis, and J. A. Vergés, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.115411 64, 115411 (2001).
26. J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1240 72, 1240 (1994).
27. Y. Fujimoto and K. Hirose, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.195315 67, 195315 (2003).
28. B. Fornberg and D. M. Sloan, in Acta Numerica 94, edited by, A. Iserles, (Cambridge University Press, Cambridge, UK, 1994).
29. N. D. Lang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.4113 55, 4113 (1997).
30. N. Agraït, A. L. Yeyati, and J. M. Van Ruitenbeek, Phys. Rep. PRPLCM 0370-1573 10.1016/S0370-1573(02)00633-6 377, 81 (2003).
31. E. Scheer, N. Agraït, J. C. Cuevas, A. L. Yeyati, B. Ludoph, A. Martín-Rodero, G. R. Bollinger, J. M. Van Ruitenbeek, and C. Urbina, Nature (London) NATUAS 0028-0836 10.1038/28112 394, 154 (1998);
32. J. M. Krans, J. M. van Ruitenbeek, V. V. Fisun, I. K. Yanson, and L. J. de Jongh, Nature (London) NATUAS 0028-0836 10.1038/375767a0 375, 767 (1995);
33. A. I. Yanson, G. Rubio Bollinger, H. E. Van Den Brom, N. Agraït, and J. M. Van Ruitenbeek, Nature (London) NATUAS 0028-0836 10.1038/27405 395, 783 (1998).
34. G. Rubio, N. Agraït, and S. Vieira, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.2302 76, 2302 (1996).
35. H. Ohnishi, Y. Kondo, and K. Takayanagi, Nature (London) NATUAS 0028-0836 10.1038/27399 395, 780 (1998).
36. N. D. Lang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.1357 79, 1357 (1997).
37. G. B. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.4199 26, 4199 (1982).