Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited

Journal of Chemical Physics

Volumn 144, Issue 7, 2016, Pages

  Dou, Wenjie ^a   Nitzan, Abraham ^a,b   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b TEL AVIV UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

HYSTERESIS; MEAN FIELD THEORY; MOLECULES; PLASMA INTERACTIONS; STATISTICAL MECHANICS;

DYNAMICAL INSTABILITIES; FINITE TEMPERATURES; MEAN FIELD APPROACH; META-STABLE STATE; MOLECULE-ELECTRODE COUPLING; NUCLEAR POSITIONS; NUMERICAL RENORMALIZATION GROUP METHODS; POTENTIAL OF MEAN FORCE;

NUMERICAL METHODS;

EID: 84960894359     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4941848     Document Type: Article

References (49)

1. A. Nitzan and M. A. Ratner, Science 300, 1384 (2003). 10.1126/science.1081572
2. C. Joachim, J. K. Gimzewski, and A. Aviram, Nature 408, 541 (2000). 10.1038/35046000
3. R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hemert, and J. M. van Ruitenbeek, Nature 419, 906 (2002). 10.1038/nature01103
4. T. Lee, W. Wang, J. F. Klemic, J. J. Zhang, J. Su, and M. A. Reed, J. Phys. Chem. B 108, 8742 (2004). 10.1021/jp049541r
5. D. J. Wold and C. D. Frisbie, J. Am. Chem. Soc. 123, 5549 (2001). 10.1021/ja0101532
6. S. Datta, W. Tian, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, Phys. Rev. Lett. 79, 2530 (1997). 10.1103/PhysRevLett.79.2530
7. K. Slowinski, R. V. Chamberlain, C. J. Miller, and M. Majda, J. Am. Chem. Soc. 119, 11910 (1997). 10.1021/ja971921l
8. D. Segal and A. Nitzan, J. Chem. Phys. 122, 194704 (2005). 10.1063/1.1900063
9. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 286, 1550 (1999). 10.1126/science.286.5444.1550
10. I. Amlani, A. M. Rawlett, L. A. Nagahara, and R. K. Tsui, Appl. Phys. Lett. 80, 2761 (2002). 10.1063/1.1469655
11. K. Walzer, E. Marx, N. C. Greenham, R. J. Less, P. R. Raithby, and K. Stokbro, J. Am. Chem. Soc. 126, 1229 (2004). 10.1021/ja036771v
12. C. Li, D. Zhang, X. Liu, S. Han, T. Tang, C. Zhou, W. Fan, J. Koehne, J. Han, M. Meyyappan, A. M. Rawlett, D. W. Price, and J. M. Tour, Appl. Phys. Lett. 82, 645 (2003). 10.1063/1.1541943
13. T. L. Schull, J. G. Kushmerick, C. H. Patterson, C. George, M. H. Moore, S. K. Pollack, and R. Shashidhar, J. Am. Chem. Soc. 125, 3202 (2003). 10.1021/ja029564o
14. J. Chen, J. Su, W. Wang, and M. Reed, Phys. E 16, 17 (2003). 10.1016/S1386-9477(02)00577-5
15. M. Galperin, M. A. Ratner, and A. Nitzan, Nano Lett. 5, 125 (2005). 10.1021/nl048216c
16. L. Simine and D. Segal, J. Chem. Phys. 141, 014704 (2014). 10.1063/1.4885051
17. M. Galperin, M. A. Ratner, and A. Nitzan, J. Phys.: Condens. Matter 19, 103201 (2007). 10.1088/0953-8984/19/10/103201
18. B. K. Agarwalla, J.-H. Jiang, and D. Segal, Phys. Rev. B 92, 245418 (2015). 10.1103/PhysRevB.92.245418
19. T. Holstein, Ann. Phys. 8, 325 (1959). 10.1016/0003-4916(59)90002-8
20. M. Thoss, I. Kondov, and H. Wang, Phys. Rev. B 76, 153313 (2007). 10.1103/PhysRevB.76.153313
21. K. F. Albrecht, H. Wang, L. Mühlbacher, M. Thoss, and A. Komnik, Phys. Rev. B 86, 081412 (2012). 10.1103/PhysRevB.86.081412
22. E. Y. Wilner, H. Wang, G. Cohen, M. Thoss, and E. Rabani, Phys. Rev. B 88, 045137 (2013). 10.1103/PhysRevB.88.045137
23. E. Y. Wilner, H. Wang, M. Thoss, and E. Rabani, Phys. Rev. B 89, 205129 (2014). 10.1103/PhysRevB.89.205129
24. E. Lörtscher, J. W. Ciszek, J. Tour, and H. Riel, Small 2, 973 (2006). 10.1002/smll.200600101
25. R. Bulla, T. A. Costi, and T. Pruschke, Rev. Mod. Phys. 80, 395 (2008). 10.1103/RevModPhys.80.395
26. A. C. Hewson and D. Meyer, J. Phys.: Condens. Matter 14, 427 (2002). 10.1088/0953-8984/14/3/312
27. K. G. Wilson, Rev. Mod. Phys. 47, 773 (1975). 10.1103/RevModPhys.47.773
28. N. Bode, S. V. Kusminskiy, R. Egger, and F. von Oppen, Beilstein J. Nanotechnol. 3, 144 (2012). 10.3762/bjnano.3.15
29. M. Thomas, T. Karzig, S. V. Kusminskiy, G. Zaránd, and F. von Oppen, Phys. Rev. B 86, 195419 (2012). 10.1103/PhysRevB.86.195419
30. D. Mozyrsky, M. B. Hastings, and I. Martin, Phys. Rev. B 73, 035104 (2006). 10.1103/PhysRevB.73.035104
31. M. Brandbyge, P. Hedegård, T. F. Heinz, J. A. Misewich, and D. M. Newns, Phys. Rev. B 52, 6042 (1995). 10.1103/PhysRevB.52.6042
32. F. Pistolesi, Y. M. Blanter, and I. Martin, Phys. Rev. B 78, 085127 (2008). 10.1103/PhysRevB.78.085127
33. R. Englman and J. Jortner, Mol. Phys. 18, 145 (1970). 10.1080/00268977000100171
34. N. R. Kestner, J. Logan, and J. Jortner, J. Phys. Chem. 78, 2148 (1974). 10.1021/j100614a017
35. R. A. Marcus, Ann. Rev. Phys. Chem. 15, 155 (1964). 10.1146/annurev.pc.15.100164.001103
36. R. A. Marcus, J. Chem. Phys. 24, 966 (1956). 10.1063/1.1742723
37. R. A. Marcus, J. Chem. Phys. 43, 679 (1965). 10.1063/1.1696792
38. A. Nitzan, Ann. Rev. Phys. Chem. 52, 681 (2001). 10.1146/annurev.physchem.52.1.681
39. W. Dou, A. Nitzan, and J. E. Subotnik, J. Chem. Phys. 142, 234106 (2015). 10.1063/1.4922513
40. G. D. Mahan, Many-Particle Physics (Plenum, New York, 2000).
41. W. Dou, A. Nitzan, and J. E. Subotnik, J. Chem. Phys. 142, 084110 (2015). 10.1063/1.4908034
42. W. Dou, A. Nitzan, and J. E. Subotnik, J. Chem. Phys. 143, 054103 (2015). 10.1063/1.4927237
43. J. E. Subotnik, T. Hansen, M. A. Ratner, and A. Nitzan, J. Chem. Phys. 130, 144105 (2009). 10.1063/1.3109898
44. M. Galperin and A. Nitzan, J. Phys. Chem. Lett. 6, 4898 (2015). 10.1021/acs.jpclett.5b02331
45. F. Elste, G. Weick, C. Timm, and F. von Oppen, Appl. Phys. A 93, 345 (2008). 10.1007/s00339-008-4826-2
46. W. Dou and J. E. Subotnik, J. Chem. Phys. 144, 024116 (2016). 10.1063/1.4939734
47. H. Haug and A. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer, New York, 2007).
48. A. Jovchev and F. B. Anders, Phys. Rev. B 87, 195112 (2013). 10.1103/PhysRevB.87.195112
49. F. B. Anders and A. Schiller, Phys. Rev. Lett. 95, 196801 (2005). 10.1103/PhysRevLett.95.196801