Single-molecule manipulation and chemistry with the STM

Journal of Physics Condensed Matter

Volumn 17, Issue 13, 2005, Pages

  Lorente, N ^a   Rurali, R ^a   Tang, H ^b  

^a UNIVERSITÉ PAUL SABATIER   (France)

^b CEMES CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMISORPTION; COMPUTER SIMULATION; DESORPTION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC CURRENTS; ELECTRON GAS; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; QUANTUM THEORY; SCANNING TUNNELING MICROSCOPY;

ATOMIC STRUCTURE; ELECTRON-VIBRATION COUPLINGS; MOLECULAR EXCITATION; TUNNELING CURRENTS;

MOLECULAR DYNAMICS;

EID: 17044373922     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/17/13/003     Document Type: Review

References (135)

1. Binnig G, Rohrer H, Gerber C and Weibel E 1982 Phys. Rev. Lett. 49 57
2. Eigler D M and Schweizer E K 1990 Nature 344 524
3. Ueba H 2004 Surf. Rev. Lett. 5 771
4. Seideman T 2003 J. Phys.: Condens. Matter 15 R521
5. Ho W 2002 J. Chem. Phys. 117 11033
6. Stroscio J A and Eigler D M 1991 Science 254 1319
7. Tsong T T and Chang C S 1995 Japan. J. Appl. Phys. 1 34 3309
8. Dujardin G, Mayne A, Robert O, Rose F, Joachim C and Tang H 1998 Phys. Rev. Lett. 80 3085
9. Bartels L, Meyer G and Rieder K H 1997 Phys. Rev. Lett. 79 697
10. Stipe B C, Rezaei M A and Ho W 1998 Science 280 1732 Stipe B C, Rezaei M A and Ho W 1999 Phys. Rev. Lett. 82 1724
11. Stipe B C, Rezaei M A and Ho W 1998 Science 280 1732 Stipe B C, Rezaei M A and Ho W 1999 Phys. Rev. Lett. 82 1724
12. Pascual J I, Lorente N, Song Z, Conrad H and Rust H P 2003 Nature 423 525
13. Messiah A 1961 Quantum Mechanics (Amsterdam: North-Holland)
14. Szabo A and Ostlund N S 1989 Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (New York: McGraw-Hill)
15. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
16. Kohn W and Sham L J 1965 Phys. Rev. 140 Al 133
17. Kohn W 1988 Rev. Mod. Phys. 71 1253
18. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
19. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
20. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
21. see http://cms.mpi.univie.ac.at/vasp/
22. Hammer B, Hansen L B and Nørskov J K 1999 Phys. Rev. B 59 7413 see also http://www.fysik.dtu.dk/campos/Dacapo/
23. Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
24. see http://www.gaussian.com/
25. Coutinho J, Jones R, Briddon P R and Öberg S 2000 Phys. Rev. B 62 10824 see also http://aimpro.ncl.ac.uk/
26. Lewis J P, Glaesemann K R, Voth G A, Fritsch J, Demkov A A, Ortega J and Sankey O F 2001 Phys. Rev. B 64 195103 see also http://www.hec.utah.edu/ fireball/
27. Ordejón P, Artacho E and Soler J M 1996 Phys. Rev. B 53 R10441 Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Sánchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745 see also http://www.uam.es/siesta/
28. Ordejón P, Artacho E and Soler J M 1996 Phys. Rev. B 53 R10441 Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Sánchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745 see also http://www.uam.es/siesta/
29. Goringe C M, Bowler D R and Herniández E 1997 Rep. Prog. Phys. 60 1447
30. Stillinger F H and Weber T A 1985 Phys. Rev. B 31 5262
31. Tersoff J 1986 Phys. Rev. Lett. 56 632 Tersoff J 1988 Phys. Rev. B 37 6991 Tersoff J 1988 Phys. Rev. B 38 9902
32. Tersoff J 1986 Phys. Rev. Lett. 56 632 Tersoff J 1988 Phys. Rev. B 37 6991 Tersoff J 1988 Phys. Rev. B 38 9902
33. Tersoff J 1986 Phys. Rev. Lett. 56 632 Tersoff J 1988 Phys. Rev. B 37 6991 Tersoff J 1988 Phys. Rev. B 38 9902
34. Brenner D W 1990 Phys. Rev. B 42 9458
35. Justo J F, Bazant M Z, Kaxiras E, Bulatov V V and Yip S 1998 Phys. Rev. B 58 2539
36. Tersoff J 1989 Phys. Rev. B 39 5566
37. Tersoff J 1988 Phys. Rev. Lett. 61 2879
38. Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8566 Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8576 Lii J-H and Allinger N L 1991 J. Comput. Chem. 12 186 Lii J-H and Allinger N L 1998 J. Comput. Chem. 19 1001
39. Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8566 Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8576 Lii J-H and Allinger N L 1991 J. Comput. Chem. 12 186 Lii J-H and Allinger N L 1998 J. Comput. Chem. 19 1001
40. Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8566 Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8576 Lii J-H and Allinger N L 1991 J. Comput. Chem. 12 186 Lii J-H and Allinger N L 1998 J. Comput. Chem. 19 1001
41. Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8566 Lii J-H and Allinger N L 1989 J. Am. Chem. Soc. 111 8576 Lii J-H and Allinger N L 1991 J. Comput. Chem. 12 186 Lii J-H and Allinger N L 1998 J. Comput. Chem. 19 1001
42. Weiner P K and Kollman P A 1981 J. Comput. Chem. 2 287 Weiner S J, Kollman P A, Case D A, Singh U C, Ghio C, Alagona G, Profeta S Jr and Weiner P K 1984 J. Am. Chem. Soc. 106 765 Weiner S J, Kollman P A, Nguyen D T and Case D A 1986 J. Comput. Chem. 7 230 Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M Jr, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W and Kollman P A 1995 J. Am. Chem. Soc. 117 5179
43. Weiner P K and Kollman P A 1981 J. Comput. Chem. 2 287 Weiner S J, Kollman P A, Case D A, Singh U C, Ghio C, Alagona G, Profeta S Jr and Weiner P K 1984 J. Am. Chem. Soc. 106 765 Weiner S J, Kollman P A, Nguyen D T and Case D A 1986 J. Comput. Chem. 7 230 Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M Jr, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W and Kollman P A 1995 J. Am. Chem. Soc. 117 5179
44. Weiner P K and Kollman P A 1981 J. Comput. Chem. 2 287 Weiner S J, Kollman P A, Case D A, Singh U C, Ghio C, Alagona G, Profeta S Jr and Weiner P K 1984 J. Am. Chem. Soc. 106 765 Weiner S J, Kollman P A, Nguyen D T and Case D A 1986 J. Comput. Chem. 7 230 Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M Jr, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W and Kollman P A 1995 J. Am. Chem. Soc. 117 5179
45. Weiner P K and Kollman P A 1981 J. Comput. Chem. 2 287 Weiner S J, Kollman P A, Case D A, Singh U C, Ghio C, Alagona G, Profeta S Jr and Weiner P K 1984 J. Am. Chem. Soc. 106 765 Weiner S J, Kollman P A, Nguyen D T and Case D A 1986 J. Comput. Chem. 7 230 Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M Jr, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W and Kollman P A 1995 J. Am. Chem. Soc. 117 5179
46. Brooks B R, Bruccoleri R E, Olafson B D, States D J, Swaminathan S and Karplus M 1983 J. Comput. Chem. 4187 Momany F A and Rone R 1992 J. Comput. Chem. 13 888
47. Brooks B R, Bruccoleri R E, Olafson B D, States D J, Swaminathan S and Karplus M 1983 J. Comput. Chem. 4187 Momany F A and Rone R 1992 J. Comput. Chem. 13 888
48. http://www.omicron.de/index2.html/results/manipulation.on.the.atomic. scale/~Omicron
49. Fotiadis D, Scheuring S, Müller S A, Engel A and Müller D J 2002 Micron 33 327
50. Thelander C and Samuelson L 2002 Nanotechnology 13 108
51. Loppacher C, Guggisberg M, Pfeiffer O, Meyer E, Bammerlin M, Luthi R, Schiittler R R, Gimzewski J K, Tang H and Joachim C 2003 Phys. Rev. Lett. 90 066107
52. Bouju X, Joachim C, Girard C and Sautet P 1993 Phys. Rev. B 47 7454
53. Girard C 1986 J. Chem. Phys. 85 6750
54. Buldum A and Ciraci S 1996 Phys. Rev. B 54 2175
55. Barker J A and Rettner C T 1992 J. Chem. Phys. 97 5844
56. Kürpick U and Rahman T S 1999 Phys. Rev. Lett. 83 2765
57. Daw M S, Foiles S M and Baskes M I 1993 Mater. Sci. Rep. 9 251
58. Voter A F and Chen S P 1986 Proc. Mater. Res. Soc. 82 175
59. Foiles S M, Baskes M I and Daw M S 1986 Phys. Rev. B 33 7983
60. Pizzagalli L and Baratoff A 2003 Phys. Rev. B 68 115427
61. Anderson A B and Hoffmann R 1974 J. Chem. Phys. 60 4271
62. Hoffmann R 1963 J. Chem. Phys. 39 1397
63. Tupper K J, Counts R W and Gajewski J J 1991 Comput. Chem. 15 157
64. Savary F, Weber J and Calzaferri G 1993 J. Phys. Chem. 97 3722
65. Sautet P and Joachim C 1991 Chem. Phys. Lett. 185 23
66. Bouju X, Joachim C and Girard C 1999 Phys. Rev. B 59 R7845
67. Cerda J and Sautet P 1997 Phys. Rev. B 56 15885
68. Kühnle A, Meyer G, Hla S W and Rieder K H 2002 Surf. Sci. 499 15
69. Zeppenfeld P, Lutz C P and Eigler D M 1992 Ultramicroscopy 4244 128
70. Jung T A, Schlittler R R, Gimzewski J K, Tang H and Joachim C 1996 Science 271 181
71. Cuberes M T, Schlittler R R and Gimzewski J K 1996 Appl. Phys. Lett. 69 3016
72. Moresco F, Meyer G, Reider K H, Tang H, Gourdon A and Joachim C 2001 Appl. Phys. Lett. 78 306
73. Tang H, Cuberes M T, Joachim C and Gimzewski J K 1997 Surf. Sci. 386 115
74. Moresco F, Meyer G, Reider K H, Tang H, Gourdon A and Joachim C 2001 Phys. Rev. Lett. 87 088302
75. Allinger N L 1977 J. Am. Chem. Soc. 99 8127
76. Eigler D M, Lutz C P and Rudge W E 1991 Nature 352 600
77. Shen T C, Wang C, Abeln G C, Tucker J R, Lyding J W, Avouris Ph and Walkup R E 1995 Science 268 1590
78. Fishlock T W, Oral A, Egdell R G and Pethica J B 2000 Nature 404 743
79. Komeda T, Kim Y, Kawai M, Persson B N J and Ueba H 2002 Science 295 2055
80. Hansma P K 1977 Phys. Rep. 30 145
81. Wang W, Lee T and Reed M A 2004 Nano Lett. 4 643
82. Davis L C 1970 Phys. Rev. B 2 1714
83. Caroli C, Combescot R, Nozières P and Saint-James D 1972 J. Phys. C: Solid State Phys. 5 21
84. Persson B N J and Baratoff A 1987 Phys. Rev. Lett. 59 339
85. Lorente N and Persson M 2000 Phys. Rev. Lett. 85 2997
86. Lorente N 2004 Appl. Phys. A 78 799
87. Galperin M, Ratner M A and Nitzan A 2004 J. Chem. Phys. 121 11965
88. Pascual J I and Lorente N 2004 Properties of Single Molecules on Crystal Surfaces submitted
89. Pascual J I, Jackiw J J, Song Z, Weiss P S, Conrad H and Rust H P 2001 Phys. Rev. Lett. 86 1050
90. Sainoo Y, Kim Y, Komeda T and Kawai M 2004 J. Chem. Phys. 120 7249
91. Agraït N, Untiedt C, Rubio-Bollinger G and Vieira S 2002 Phys. Rev. Lett. 88 216803
92. Agraït N, Untiedt C, Rubio-Bollinger G and Vieira S 2002 Chem. Phys. 281 231
93. Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press)
94. Meir Y and Wingreen N S 1992 Phys. Rev. Lett. 68 2512
95. Haug H and Jauho A P 1996 Quantum Kinetics in Transport and Optics of Semiconductors (Berlin: Springer)
96. Frederiksen T 2004 Master Thesis DTU, Lyngby http://www.mic.dtu.dk/ research/theoreticalnano/publications/theses.htm
97. Frederiksen T, Brandbyge M, Lorente N and Jauho A P 2004 Phys. Rev. Lett. 93 256601
98. Bardeen J 1961 Phys. Rev. Lett. 6 57
99. Doyen G 1996 Scanning Tunnelling Microscopy III (Springer Series in Surface Science) ed R Wiesendanger and H J Güntherodt (Berlin: Springer) Doyen G 1993 J. Phys.: Condens. Matter 5 3305
100. Doyen G 1996 Scanning Tunnelling Microscopy III (Springer Series in Surface Science) ed R Wiesendanger and H J Güntherodt (Berlin: Springer) Doyen G 1993 J. Phys.: Condens. Matter 5 3305
101. Tersoff J and Hamann D R 1983 Phys. Rev. Lett. 50 1998 Tersoff J and Hamann D R 1985 Phys. Rev. B 31 805
102. Tersoff J and Hamann D R 1983 Phys. Rev. Lett. 50 1998 Tersoff J and Hamann D R 1985 Phys. Rev. B 31 805
103. Chen C J 1993 Introduction to Scanning Tunneling Microscopy (Oxford: Oxford University Press)
104. Hofer W, Foster A S and Shluger A L 2003 Rev. Mod. Phys. 75 1287
105. Zawadowski A 1967 Phys. Rev. 163 341
106. Appelbaum J A and Brinkman W F 1969 Phys. Rev. 186 464
107. Pendry J B, Prêtre A B and Krutzen B C H 1991 J. Phys.: Condens. Matter 3 4313
108. Li J, Schneider W D, Berndt R, Bryant O and Crampin S 1998 Phys. Rev. Lett. 814464
109. Lorente N and Persson M 2000 Faraday Discuss. 117 277
110. Lorente N, Persson M, Lauhon L J and Ho W 2001 Phys. Rev. Lett. 86 2593
111. Lauhon L J and Ho W 1999 Phys. Rev. B 60 R8525
112. Heinrich A J, Lutz C P, Gupta J A and Eigler D M 2002 Science 298 1381
113. Gao S, Persson M and Lundqvist B 11992 Solid State Commun. 84 271 Gao S, Persson M and Lundqvist B I 1993 J. Electron Spectrosc. Relat. Phenom. 64/65 665
114. Gao S, Persson M and Lundqvist B I 1992 Solid State Commun. 84 271 Gao S, Persson M and Lundqvist B I 1993 J. Electron Spectrosc. Relat. Phenom. 64/65 665
115. Gao S, Persson M and Lundqvist B I 1997 Phys. Rev. B 55 4825
116. Walkup R E, Newns D M and Avouris Ph 1993 Phys. Rev. B 48 1858
117. Ho W 1996 J. Phys. Chem. 100 13050
118. Salam G P, Persson M and Palmer R E 1994 Phys. Rev. B 49 10655
119. Lorente N and Pascual J I 2004 Phil. Trans. R. Soc. 362 1227
120. Persson B N J and Ueba H 2002 Surf Sci. 502/503 18
121. Gadzuk J W 1991 Phys. Rev. B 44 13466
122. Alavi S, Rousseau R and Seideman T 2000 J. Chem. Phys. 113 4412
123. Guo H, Saalfrank P and Seideman T 1999 Prog. Surf. Sci. 62 239
124. Alavi S, Rousseau R, Patitsas S N, Lopinksi G P, Wolkow R A and Seideman T 2000 Phys. Rev. Lett. 85 5372 Alavi S, Rousseau R, Patitsas S N, Lopinksi G P, Wolkow R A and Seideman T 2000 Faraday Discuss. 117 213
125. Alavi S, Rousseau R, Patitsas S N, Lopinksi G P, Wolkow R A and Seideman T 2000 Phys. Rev. Lett. 85 5372 Alavi S, Rousseau R, Patitsas S N, Lopinksi G P, Wolkow R A and Seideman T 2000 Faraday Discuss. 117 213
126. Avouris Ph, Walkup R E, Rossi A R, Shen T C, Abeln G C, Tucker J R and Lyding J W 1996 Chem. Phys. Lett. 257 148
127. Hellsing B and Persson M 1984 Phys. Scr. 29 360
128. Head-Gordon M and Tully J C 1992 Phys. Rev. B 46 1835 Head-Gordon M and Tully J C 1992 J. Chem. Phys. 96 3939
129. Head-Gordon M and Tully J C 1992 Phys. Rev. B 46 1835 Head-Gordon M and Tully J C 1992 J. Chem. Phys. 96 3939
130. Bornscheuer K H, Nessler W, Binetti M, Hasselbrink E and Saalfrank P 1997 Phys. Rev. Lett. 78 1174
131. Runge E and Gross E K U 1984 Phys. Rev. Lett. 52 997
132. Rignanese G M, Blase X and Louie S G 2001 Phys. Rev. Lett. 86 2110
133. Lopinsky G P, Wayner D D M and Wolkow R A 2000 Nature 406 44
134. Asai Y 2004 Phys. Rev. Lett. 93 246102
135. Yu L H, Keane Z K, Ciszek J W, Cheng L, Stewart M P, Tour J M and Natelson D 2004 Phys. Rev. Lett. 93 266802