Inelastic effects in electron transport studied with wave packet propagation

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 3, 2008, Pages

  Monturet, S ^a   Lorente, N ^a,b  

^a UNIVERSITÉ DE TOULOUSE   (France)

^b CATALAN INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY ICN2   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 48749133005     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.035445     Document Type: Article

References (90)

1. M. Galperin, M. A. Ratner, A. Nitzan, and A. Troisi, Science SCIEAS 0036-8075 10.1126/science.1146556 319, 1056 (2008).
2. M. Galperin, M. A. Ratner, and A. Nitzan, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/10/103201 19, 103201 (2007).
3. M. Berthe, A. Urbieta, L. Perdigao, B. Grandidier, D. Deresmes, C. Delerue, D. Stievenard, R. Rurali, N. Lorente, L. Magaud, and P. Ordejon, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.206801 97, 206801 (2006).
4. N. Néel, J. Kröger, L. Limot, T. Frederiksen, M. Brandbyge, and R. Berndt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.065502 98, 065502 (2007).
5. W. Ho, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1521153 117, 11033 (2002).
6. B. C. Stipe, M. A. Rezaei, and W. Ho, Science SCIEAS 0036-8075 10.1126/science.279.5358.1907 279, 1907 (1998).
7. H. J. Lee and W. Ho, Science SCIEAS 0036-8075 10.1126/science.286.5445. 1719 286, 1719 (1999).
8. J. Gaudioso, L. J. Lauhon, and W. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.1918 85, 1918 (2000).
9. Y. Kim, T. Komeda, and M. Kawai, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.126104 89, 126104 (2002).
10. X. H. Qiu, G. V. Nazin, and W. Ho, Science SCIEAS 0036-8075 10.1126/science.1078675 299, 542 (2003).
11. R. H. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. V. Hermet, and J. M. V. Ruitenbeek, Nature (London) NATUAS 0028-0836 10.1038/nature01103 419, 906 (2002).
12. N. Agrait, C. Untiedt, G. Rubio-Bollinger, and S. Vieira, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.216803 88, 216803 (2002).
13. N. Mingo and K. Makoshi, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039- 6028(99)00579-8 438, 261 (1999)
14. N. Mingo and K. Makoshi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.3694 84, 3694 (2000).
15. N. Lorente and M. Persson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.2997 85, 2997 (2000).
16. T. Mii, S. Tikhodeev, and H. Ueba, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(01)01894-5 502-503, 26 (2002)
17. T. Mii, S. G. Tikhodeev, and H. Ueba, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.205406 68, 205406 (2003).
18. M. J. Montgomery and T. N. Todorov, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/50/011 15, 8781 (2003).
19. T. Frederiksen, M. Brandbyge, N. Lorente, and A.-P. Jauho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.256601 93, 256601 (2004).
20. G. C. Solomon, A. Gagliardi, A. Pecchia, T. Frauenheim, A. Di Carlo, J. R. Reimers, and N. S. Hush, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2166362 124, 094704 (2006).
21. N. Sergueev, A. A. Demkov, and H. Guo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.233418 75, 233418 (2007).
22. M. Galperin, M. A. Ratner, and A. Nitzan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1814076 121, 11965 (2004).
23. M. Galperin, A. Nitzan, and M. A. Ratner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.045314 73, 045314 (2006).
24. M. Paulsson, T. Frederiksen, and M. Brandbyge, Nano Lett. NALEFD 1530-6984 10.1021/nl052224r 6, 258 (2006).
25. A. Troisi, M. A. Ratner, and A. Nitzan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1556854 118, 6072 (2003).
26. E. Prodan and R. Car, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76. 115102 76, 115102 (2007).
27. S. Datta, in Electronic Transport in Mesoscopic Systems, edited by, H. Ahmed,,, M. Pepper,, and, A. Broers, (Cambridge University Press, Cambridge, England, 1995).
28. H. Haug and A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1996).
29. J. Maciejko, J. Wang, and H. Guo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.085324 74, 085324 (2006).
30. C. Verdozzi, G. Stefanucci, and C.-O. Almbladh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.046603 97, 046603 (2006).
31. M. Di Ventra and R. D'Agosta, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.226403 98, 226403 (2007).
32. E. McEniry and T. Todorov, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/19/196201 19, 196201 (2007).
33. A.-P. Jauho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.12327 41, 12327 (1990).
34. S. Mahapatra and N. Sathyamurthy, J. Chem. Soc., Faraday Trans. JCFTEV 0956-5000 10.1039/a605778k 93, 773 (1997).
35. J.-P. Gauyacq, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459537 93, 384 (1990).
36. W. Domcke, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(91)90125-6 208, 97 (1991).
37. A. Bringer, J. Harris, and J. W. Gadzuk, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/5/29/010 5, 5141 (1993).
38. F. Grossmann, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(01)00297-X 268, 347 (2001).
39. P. Hyldgaard, S. Hershfield, J. H. Davies, and J. W. Wilkins, Ann. Phys. (N.Y.) APNYA6 0003-4916 10.1006/aphy.1994.1106 236, 1 (1994).
40. K. Flensberg, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.205323 68, 205323 (2003).
41. A. Mitra, I. Aleiner, and A. J. Millis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.245302 69, 245302 (2004).
42. Y. Imry, O. Entin-Wohlman, and A. Aharony, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2005-10217-9 72, 263 (2005).
43. H. Ness, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/18/ 27/014 18, 6307 (2006).
44. T. Markussen, R. Rurali, M. Brandbyge, and A.-P. Jauho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.245313 74, 245313 (2006).
45. S. Roche, J. Jiang, F. Triozon, and R. Saito, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.076803 95, 076803 (2005).
46. J. C. Lanczos, J. Res. Natl. Bur. Stand. 45, 225 (1950). 0091-0635
47. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Eigenvalue Computations (SIAM, Philadelphia, 2002).
48. A. G. Borisov and S. V. Shabanov, J. Comput. Phys. JCTPAH 0021-9991 10.1016/j.jcp.2005.03.034 209, 643 (2005).
49. J. Sjakste, A. G. Borisov, J.-P. Gauyacq, and A. K. Kazansky, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/37/8/003 37, 1593 (2004).
50. D. J. Tannor, Introduction to Quantum Mechanics: A Time Dependent Perspective (University Science, Sausalito, 2006).
51. T. Holstein, Ann. Phys. (N.Y.) APNYA6 0003-4916 10.1016/0003-4916(59) 90002-8 8, 325 (1959).
52. Y. Meir and N. S. Wingreen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.2512 68, 2512 (1992).
53. A.-P. Jauho, N. S. Wingreen, and Y. Meir, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.5528 50, 5528 (1994).
54. B. Y. Gelfand, S. Schmitt-Rink, and A. F. J. Levi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.1683 62, 1683 (1989).
55. J. A. Stovneng, E. H. Hauge, P. Lipavsky, and V. Spicka, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.13595 44, 13595 (1991).
56. N. S. Wingreen, K. W. Jacobsen, and J. W. Wilkins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.61.1396 61, 1396 (1988)
57. N. S. Wingreen, K. W. Jacobsen, and J. W. Wilkins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.11834 40, 11834 (1989).
58. J. W. Gadzuk, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.13466 44, 13466 (1991).
59. J. Bonca and S. A. Trugman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.2566 75, 2566 (1995).
60. E. G. Emberly and G. Kirczenow, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.5740 61, 5740 (2000).
61. M. Cizek, M. Thoss, and W. Domcke, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.125406 70, 125406 (2004).
62. C. Benesch, M. Cizek, M. Thoss, and W. Domcke, Chem. Phys. Lett. 430, 355 (2006). 0009-2614
63. Ph. Durand, I. Paidarová, and F.-X. Gadea, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/34/10/310 34, 1953 (2001).
64. A. Baratoff and B. N. J. Persson, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.575407 6, 331 (1988).
65. J.-P. Gauyacq, Dynamics of Negative Ions, Lecture Notes in Physics (World Scientific, Singapore, 1987).
66. M. Persson and B. Hellsing, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.49.662 49, 662 (1982)
67. B. Hellsing and M. Persson, Phys. Scr. PHSTBO 0031-8949 10.1088/0031-8949/29/4/014 29, 360 (1984).
68. We assume that the main difference between the negative PES and the neutral one is the change in geometrical conformation of the negative ion with respect to the neutral molecule. However, frequencies also change and as a matter of fact the electron-vibration coupling should be computed for the negative PES.
69. J. Repp, G. Meyer, S. Paavilainen, F. E. Olsson, and M. Persson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.225503 95, 225503 (2005).
70. G. D. Mahan, Many-Particle Physics, 3rd ed. (Kluwer, Dordrecht/ Plenum, New York, 2000), p. 226.
71. T. Frederiksen, N. Lorente, M. Paulsson, and M. Brandbyge, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.235441 75, 235441 (2007).
72. N. A. Pradhan, N. Liu, and W. Ho, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp045289b 109, 8513 (2005).
73. N. Ogawa, G. Mikaelian, and W. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.166103 98, 166103 (2007).
74. P. K. Hansma, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(77)90054-0 30, 145 (1977).
75. J. R. Hahn, H. J. Lee, and W. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.1914 85, 1914 (2000).
76. L. J. Lauhon and W. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.R8525 60, R8525 (1999).
77. N. Lorente, R. Rurali, and H. Tang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/17/13/003 17, S1049 (2005).
78. N. Lorente and M. Persson, Faraday Discuss. FDISE6 0301-7249 10.1039/b002826f 117, 277 (2000).
79. F. E. Olsson, N. Lorente, and M. Persson, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(02)02358-0 522, L27 (2003).
80. L. C. Davis, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.2.1714 2, 1714 (1970).
81. B. N. J. Persson and A. Baratoff, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.59.339 59, 339 (1987).
82. M. Paulsson, T. Frederiksen, and M. Brandbyge, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.201101 72, 201101 (R) (2005).
83. M. Paulsson, T. Frederiksen, H. Ueba, N. Lorente, and M. Brandbyge, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.226604 100, 226604 (2008).
84. O. Tal, M. Krieger, B. Leerink, and J. M. van Ruitenbeek, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.196804 100, 196804 (2008).
85. T. Frederiksen, M. Brandbyge, A. P. Jauho, and N. Lorente, J. Comput. Electron. JCEOA7 1569-8025 10.1007/s10825-004-7089-y 3, 423 (2004).
86. C. Zhang, E. Jeckelmann, and S. R. White, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2661 80, 2661 (1998)
87. C. Zhang, E. Jeckelmann, and S. R. White, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.14092 60, 14092 (1999).
88. M. Nest and T. Klamroth, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.72.012710 72, 012710 (2005).
89. P. Krause, T. Klamroth, and P. Saalfrank, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2749503 127, 034107 (2007).
90. T. Frederiksen, M. Paulsson, M. Brandbyge, and A.-P. Jauho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.205413 75, 205413 (2007).