First-principles study of atomic-scale contact effects on the anomalous electric transport through molecules

Journal of Physics: Conference Series

Volumn 61, Issue 1, 2007, Pages 420-424

  Hirose, Kenji ^a,c   Kobayashi, Nobuhiko ^b,c  

^a NEC CORPORATION   (Japan)

^b UNIVERSITY OF TSUKUBA   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34247478637     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/61/1/084     Document Type: Article

References (20)

1. Reed M A, C Zhou, Muller C J, Buring T P and Tour J M 1997 Science 278 252
2. Heath J R and Ratner M A 2003 Molecular Electronics, Phys. Today 56 43
3. Hirose K and Tsukada M 1994 Phys. Rev. Lett. 73 150
4. Hirose K and Tsukada M 1995 Phys. Rev. B 51 5278
5. Meir Y and Wingreen N S 1992 Phys. Rev. Lett. 68 2512
6. Haug H and Jauho A-P 1996 Quantum Kinetics in Transport and Optics of Semiconductors (Berln: Springer)
7. Kobayashi N, Hirose K and Tsukda M 1997 Japan. J. Appl. Phys. 36 3791
8. The nonlocal parts of pseudopotentials are included following by the procedures described in Hirose K, Kobayashi N and Tsukada M 2004 Phys. Rev. B 69 245412
9. Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press)
10. Taylor J, Guo H and Wang J 2001 Phys. Rev. B 63 245407
11. Xue Y, Datta S and Ratner M A 2002 Chem. Phys. 281 151
12. Brandbyge M, Mozos J-L, Ordejon P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401
13. We don't consider the onset of energy dissipation due to the excitation of electrons; see Agrait N, Untiedt C, Rubio-Bollinger G and Vieira S 2002 Phys. Rev. Lett. 88 216803
14. Asai Y 2004 Phys. Rev. Lett. 93 246102
15. Kobayashi N and Tsukada M 1999 Japan. J. Appl. Phys. 38 3805
16. Kobayashi N, Aono M and Tsukada M 2001 Phys. Rev. B 64 121402
17. s is the inter-particle distance in units of Bohr radius.
18. Ventra M Di, Pantelides S T and Lang N D 2000 Phys. Rev. Lett. 84 979
19. Reichert J, Ochs R, Beckmann D, Weber H B, Mayor M and Lohneysen H V 2002 Phys. Rev. Lett. 88 176804
20. Kushmerick J G, Holt D B, Yang J C, Naciri J, Moore M H and Shashidhar R 2002 Phys. Rev. Lett. 89 086802