Effects of spin-orbit coupling on the conductance of molecules contacted with gold electrodes

Journal of Physics Condensed Matter

Volumn 21, Issue 33, 2009, Pages

  Zhang, Ruoxing ^a   Ma, Guohui ^a   Li, Rui ^a   Qian, Zekan ^a   Shen, Ziyong ^a   Zhao, Xingyu ^a   Hou, Shimin ^a   Sanvito, Stefano ^b  

^a PEKING UNIVERSITY   (China)

^b TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO APPROACH; AU ELECTRODES; AU(1 1 1 ); AU(100); COUPLED SYSTEMS; DITHIOL MOLECULES; DITHIOLS; ELECTRODE INTERFACE; GOLD ELECTRODES; HOLLOW SITES; MOLECULAR DEVICE; NON-EQUILIBRIUM GREEN'S FUNCTION FORMALISM; SPECIFIC MATERIALS; SPIN ORBIT INTERACTIONS; SPIN-ORBIT COUPLINGS; SPIN-ORBIT EFFECTS; SYMMETRY CHANGES; THREE-DIMENSIONAL ELECTRODE; TRANSMISSION COEFFICIENTS;

BENZENE; DENSITY FUNCTIONAL THEORY; DIFFERENTIAL EQUATIONS; ELECTRIC WIRE; FERMI LEVEL; FERMIONS; GREEN'S FUNCTION; MOLECULES; ORBITS; SPIN DYNAMICS;

ELECTRODES;

EID: 70349147010     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/33/335301     Document Type: Article

References (50)

1. Nitzan A and Ratner M A 2003 Science 300 1384
2. Tao N J 2006 Nat. Nanotechnol. 1 173
3. Reed M A, Zhou C, Miller C J, Burgin T P and Tour J M 1997 Science 278 252
4. Xiao X, Xu B and Tao N J 2004 Nano Lett. 4 267
5. Lörtscher E, Weber H B and Riel H 2007 Phys. Rev. Lett. 98 176807
6. Xu B and Tao N J 2003 Science 301 1221
7. Venkataraman L, Klare J E, Tam I W, Nuckolls C, Hybertsen M S and Steigerwald M L 2006 Nano Lett. 6 458
8. Ulrich J, Esrail D, Pontius W, Venkataraman L, Millar D and Doerrer L H 2006 J. Phys. Chem. B 110 2462
9. Chen F, Li X, Hihath J, Huang Z and Tao N J 2006 J. Am. Chem. Soc. 128 15874
10. Meir Y and Wingreen N S 1992 Phys. Rev. Lett. 68 2512
11. Thygesen K S 2006 Phys. Rev. B 73 035309
12. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
13. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
14. Zhang J, Hou S, Li R, Qian Z, Han R, Shen Z, Zhao X and Xue Z 2005 Nanotechnology 16 3057
15. Xue Y, Datta S and Ratner M A 2002 Chem. Phys. 281 151
16. Ke S-H, Baranger H U and Yang W 2004 Phys. Rev. B 70 085410
17. Taylor J, Guo H and Wang J 2001 Phys. Rev. B 63 245407
18. Brandbyge M, Mozos J-L, Ordejón P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401
19. Rocha A R, García-Surez V M, Bailey S, Lambert C, Ferrer J and Sanvito S 2006 Phys. Rev. B 73 085414
20. Rusakov A A, Rykova E, Scuseria G E and Zaitsevskii A 2007 J. Chem. Phys. 127 164322
21. Nautiyal T, Youn S J and Kim K S 2003 Phys. Rev. B 68 033407
22. Corso A D, Smogunov A and Tosatti E 2006 Phys. Rev. B 74 045429
23. Hall L E, Reimers J R, Hush N S and Silverbrook K 2000 J. Chem. Phys. 112 1510
24. Lu W and Lieber C M 2007 Nat. Mater. 6 841
25. Ohnishi H, Kondo Y and Takayanagi K 1998 Nature 395 780
26. Thijssen W H A, Marjenburgh D, Bremmer R H and van Ruitenbeek J M 2006 Phys. Rev. Lett. 96 026806
27. Nazin G V, Qiu X H and Ho W 2003 Science 302 77
28. Qian Z, Li R, Hou S, Xue Z and Sanvito S 2007 J. Chem. Phys. 127 194710
29. Crljen and Baranović G 2007 Phys. Rev. Lett. 98 116801
30. Qian Z, Li R, Zhao X, Hou S and Sanvito S 2008 Phys. Rev. B 78 113301
31. Li R, Zhang J, Hou S, Qian Z, Shen Z, Zhao X and Xue Z 2007 Chem. Phys. 336 127
32. Fernandez-Seivane L, Oliveira M A, Sanvito S and Ferrer J 2006 J. Phys.: Condens. Matter 18 7999
33. Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Snchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745
34. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
35. Toher C, Filippetti A, Sanvito S and Burke K 2005 Phys. Rev. Lett. 95 146402
36. Toher C and Sanvito S 2007 Phys. Rev. Lett. 99 056801
37. Toher C and Sanvito S 2008 Phys. Rev. B 77 155402
38. Kleinman L 1980 Phys. Rev. B 21 2630
39. Bachelet G B and Schuter M 1982 Phys. Rev. B 25 2103
40. Kleinman L and Bylander D M 1982 Phys. Rev. Lett. 48 1425
41. Hou S, Li R, Qian Z, Zhang J, Shen Z, Zhao X and Xue Z 2005 J. Phys. Chem. A 109 8356
42. Corso A D and Conte A M 2005 Phys. Rev. B 71 115106
43. Li R, Hou S, Zhang J, Qian Z, Shen Z and Zhao X 2006 J. Chem. Phys. 125 194113
44. Di Ventra M, Pantelides S T and Lang N D 2000 Phys. Rev. Lett. 84 979
45. Xue Y and Ratner M A 2003 Phys. Rev. B 68 115406
46. Xue Y and Ratner M A 2003 Phys. Rev. B 68 115407
47. Basch H, Cohen R and Ratner M A 2005 Nano Lett. 5 1668
48. Andrews D Q, Cohen R, Van Duyne R P and Ratner M A 2006 J. Chem. Phys. 125 174718
49. Ke S-H, Baranger H U and Yang W 2007 J. Chem. Phys. 127 144107
50. Thygesen K S, Strange M, Kristensen I S and Jacobsen K W 2008 J. Chem. Phys. 128 114714