The effect of stretching thiyl- and ethynyl-Au molecular junctions

Journal of Physics Condensed Matter

Volumn 20, Issue 2, 2008, Pages

  Hoft, R C ^a   Ford, M J ^a   Garcia Suarez V M ^b   Lambert, C J ^b   Cortie, M B ^a  

^a UNIVERSITY OF TECHNOLOGY SYDNEY   (Australia)

^b LANCASTER UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTANCE; FREE RADICALS; GREEN'S FUNCTION; SPIN POLARIZATION;

EQUILIBRIUM GEOMETRIES; JUNCTION GEOMETRY; MOLECULAR JUNCTIONS; TRANSMISSION SPECTRA;

SEMICONDUCTOR JUNCTIONS;

EID: 43049101502     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/02/025207     Document Type: Article

References (29)

1. Joachim C, Gimzewski J K and Aviram A 2000 Nature 408 541
2. Hush N 2003 Nat. Mater. 2 134
3. Lindsay S M and Ratner M A 2007 Adv. Mater. 19 23
4. Akkerman H B, Blom P W M, de Leeuw D M and de Boer B 2006 Nature 441 69
5. Hoft R C, Armstrong N, Ford M and Cortie M B 2007 J. Phys.: Condens. Matter 19 215206
6. Basch H, Cohen R and Ratner M A 2005 Nano Lett. 5 1668
7. Hoft R C, Ford M J and Cortie M B 2006 Chem. Phys. Lett. 429 503
8. Hu Y B, Zhu Y, Gao H J and Guo H 2005 Phys. Rev. Lett. 95 156803
9. Ke S H, Baranger H U and Yang W T 2005 J. Chem. Phys. 122 074704
10. Muller K H 2006 Phys. Rev. B 73 045403
11. Romaner L, Heimel G, Gruber M, Bredas J L and Zojer E 2006 Small 2 1468
12. Solomon G C, Reimers J R and Hush N S 2005 J. Chem. Phys. 122 224502
13. Speyer G, Akis R and Ferry D K 2003 Superlatt. Microstruct. 34 429
14. Speyer G, Akis R and Ferry D K 2005 IEEE Trans. Nanotechnol. 4 403
15. Xue Y Q and Ratner M A 2003 Phys. Rev. B 68 115407
16. Delaney P and Greer J C 2004 Phys. Rev. Lett. 93 036805
17. Sai N, Zwolak M, Vignale G and Di Ventra M 2005 Phys. Rev. Lett. 94 186810
18. Solomon G C, Reimers J R and Hush N S 2004 J. Chem. Phys. 121 6615
19. Xu B Q and Tao N J J 2003 Science 301 1221
20. Kruger D, Fuchs H, Rousseau R, Marx D and Parrinello M 2002 Phys. Rev. Lett. 89 186402
21. Ordejon P, Artacho E and Soler J M 1996 Phys. Rev. B 53 10441
22. Soler J M, Artacho E, Gale J D, Garcia A, Junquera J, Ordejon P and Sanchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745
23. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
24. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
25. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
26. Ford M J, Hoft R C and McDonagh A 2005 J. Phys. Chem. B 109 20387
27. Rocha A R, Garcia-Suarez V M, Bailey S, Lambert C, Ferrer J and Sanvito S 2006 Phys. Rev. B 73 085414
28. Rocha A R, Garcia-Suarez V M, Bailey S W, Lambert C J, Ferrer J and Sanvito S 2005 Nat. Mater. 4 335
29. Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press)