Scaling analysis of electron transport through metal-semiconducting carbon nanotube interfaces: Evolution from the molecular limit to the bulk limit

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 20, 2004, Pages

  Xue, Yongqiang ^a   Ratner, Mark A ^b  

^a STATE UNIVERSITY OF NEW YORK   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; ATOM; CONDUCTANCE; ELECTRIC CURRENT; ELECTRIC POTENTIAL; ELECTRICITY; ELECTRODE; ELECTRON; ELECTRON TRANSPORT; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR EVOLUTION; NANOTUBE; SEMICONDUCTOR; TEMPERATURE DEPENDENCE;

EID: 42749103486     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.205416     Document Type: Article

References (155)

1. S.M. Sze, Semiconductor Devices: Physics and Technology, 2nd ed. (Wiley, New York, 2002).
2. L.L. Chang, L. Esaki, and R. Tsu, Appl. Phys. Lett. 24, 593 (1974).
3. W. Shockley, Proc. IRE 40, 1289 (1952).
4. W. Shockley, Electrons and Holes in Semiconductors (Van Nostrand, New York, 1950); J.M. Luttinger and W. Kohn, Phys. Rev. 97, 869 (1955).
5. W. Shockley, Electrons and Holes in Semiconductors (Van Nostrand, New York, 1950); J.M. Luttinger and W. Kohn, Phys. Rev. 97, 869 (1955).
6. S.M. Sze, Physics of Semiconductor Devices, 2nd ed. (Wiley, New York, 1981).
7. Hot Carrier in Semiconductor Nanostructures: Physics and Applications, edited by J. Shah (Academic, San Diego, 1992); Quantum Transport in Semiconductors, edited by D.K. Ferry and C. Jacoboni (Plenum, New York, 1992).
8. Hot Carrier in Semiconductor Nanostructures: Physics and Applications, edited by J. Shah (Academic, San Diego, 1992); Quantum Transport in Semiconductors, edited by D.K. Ferry and C. Jacoboni (Plenum, New York, 1992).
9. R.H. Dennard, F.H. Gaensslen, H.-N. Yu, V.L. Rideout, E. Bassous, and A.R. Leblanc, IEEE J. Solid-State Circuits SC-9, 256 (1974); D.J. Frank, R.H. Dennard, E. Nowalk, P.M. Solomon, Y. Taur, and H.-S.P. Wong, Proc. IEEE 89, 259 (2001).
10. R.H. Dennard, F.H. Gaensslen, H.-N. Yu, V.L. Rideout, E. Bassous, and A.R. Leblanc, IEEE J. Solid-State Circuits SC-9, 256 (1974); D.J. Frank, R.H. Dennard, E. Nowalk, P.M. Solomon, Y. Taur, and H.-S.P. Wong, Proc. IEEE 89, 259 (2001).
11. W. Kohn and J.M. Luttinger, Phys. Rev. 108, 590 (1957); W. Shockley, Bell Syst. Tech. J. 28, 435 (1949); W. van Roosbroeck, ibid. 29, 560 (1950); R. Stratton, Phys. Rev. 126, 2002 (1962).
12. W. Kohn and J.M. Luttinger, Phys. Rev. 108, 590 (1957); W. Shockley, Bell Syst. Tech. J. 28, 435 (1949); W. van Roosbroeck, ibid. 29, 560 (1950); R. Stratton, Phys. Rev. 126, 2002 (1962).
13. W. Kohn and J.M. Luttinger, Phys. Rev. 108, 590 (1957); W. Shockley, Bell Syst. Tech. J. 28, 435 (1949); W. van Roosbroeck, ibid. 29, 560 (1950); R. Stratton, Phys. Rev. 126, 2002 (1962).
14. W. Kohn and J.M. Luttinger, Phys. Rev. 108, 590 (1957); W. Shockley, Bell Syst. Tech. J. 28, 435 (1949); W. van Roosbroeck, ibid. 29, 560 (1950); R. Stratton, Phys. Rev. 126, 2002 (1962).
15. W. Hänsch, The Drift Diffusion Equation and Its Applications in MOSFET Modeling (Springer, Wien, 1991); M. Lundstrom, Fundamentals of Carrier Transport, 2nd ed. (Cambridge University Press, Cambridge, 2000).
16. W. Hänsch, The Drift Diffusion Equation and Its Applications in MOSFET Modeling (Springer, Wien, 1991); M. Lundstrom, Fundamentals of Carrier Transport, 2nd ed. (Cambridge University Press, Cambridge, 2000).
17. F.S. Khan, J.H. Davies, and J.W. Wilkins, Phys. Rev. B 36, 2578 (1987); L. Reggiani, P. Lugli, and A.P. Jauho, ibid. 36, 6602 (1987); P. Lipavský, F.S. Khan, F. Abdolsalami, and J.W. Wilkins, ibid. 43, 4885 (1991).
18. F.S. Khan, J.H. Davies, and J.W. Wilkins, Phys. Rev. B 36, 2578 (1987); L. Reggiani, P. Lugli, and A.P. Jauho, ibid. 36, 6602 (1987); P. Lipavský, F.S. Khan, F. Abdolsalami, and J.W. Wilkins, ibid. 43, 4885 (1991).
19. F.S. Khan, J.H. Davies, and J.W. Wilkins, Phys. Rev. B 36, 2578 (1987); L. Reggiani, P. Lugli, and A.P. Jauho, ibid. 36, 6602 (1987); P. Lipavský, F.S. Khan, F. Abdolsalami, and J.W. Wilkins, ibid. 43, 4885 (1991).
20. M. Lundstrom, IEEE Electron Device Lett. 18, 361 (1997); S. Datta, F. Assad, and M.S. Lundstrom, Superlattices Microstruct. 23, 771 (1997).
21. M. Lundstrom, IEEE Electron Device Lett. 18, 361 (1997); S. Datta, F. Assad, and M.S. Lundstrom, Superlattices Microstruct. 23, 771 (1997).
22. S. Iijima and T. Ichihashi, Nature (London) 363, 603 (1993).
23. C. Dekker, Phys. Today 52 (5), 22 (1999).
24. R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998); C.T. White and J.W. Mintmire, Nature (London) 394, 29 (1998).
25. R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998); C.T. White and J.W. Mintmire, Nature (London) 394, 29 (1998).
26. P.L. McEuen, M.S. Fuhrer, and H. Park, IEEE Trans. Nanotechnol. 1, 78 (2002); Ph. Avouris, J. Appenzeller, R. Martel, and S.J. Wind, Proc. IEEE 91, 1772 (2003).
27. P.L. McEuen, M.S. Fuhrer, and H. Park, IEEE Trans. Nanotechnol. 1, 78 (2002); Ph. Avouris, J. Appenzeller, R. Martel, and S.J. Wind, Proc. IEEE 91, 1772 (2003).
28. S.J. Tans, A.R. M. Verschuen, and C. Dekker, Nature (London) 393, 49 (1998); A. Bachtold, P. Hadley, T. Nakanishi, and C. Dekker, Science 294, 1317 (2001); S.G. Lemay, J.W. Janssen, M. van den Hout, M. Mooij, M.J. Broikowski, PA. Willis, R.E. Smalley, L.P. Kouwenhoven, and C. Dekker, Nature (London) 412, 617 (2001).
29. S.J. Tans, A.R. M. Verschuen, and C. Dekker, Nature (London) 393, 49 (1998); A. Bachtold, P. Hadley, T. Nakanishi, and C. Dekker, Science 294, 1317 (2001); S.G. Lemay, J.W. Janssen, M. van den Hout, M. Mooij, M.J. Broikowski, PA. Willis, R.E. Smalley, L.P. Kouwenhoven, and C. Dekker, Nature (London) 412, 617 (2001).
30. S.J. Tans, A.R. M. Verschuen, and C. Dekker, Nature (London) 393, 49 (1998); A. Bachtold, P. Hadley, T. Nakanishi, and C. Dekker, Science 294, 1317 (2001); S.G. Lemay, J.W. Janssen, M. van den Hout, M. Mooij, M.J. Broikowski, PA. Willis, R.E. Smalley, L.P. Kouwenhoven, and C. Dekker, Nature (London) 412, 617 (2001).
31. R. Martel, T. Schmidt, H.R. Shea, T. Hertel, and Ph. Avouris, Appl. Phys. Lett. 73, 2447 (1998); R. Martel, V. Derycke, C. Lavoie, J. Appenzeller, K.K. Chan, J. Tersoff, and Ph. Avouris, Phys. Rev. Lett. 87, 256805 (2001).
32. R. Martel, T. Schmidt, H.R. Shea, T. Hertel, and Ph. Avouris, Appl. Phys. Lett. 73, 2447 (1998); R. Martel, V. Derycke, C. Lavoie, J. Appenzeller, K.K. Chan, J. Tersoff, and Ph. Avouris, Phys. Rev. Lett. 87, 256805 (2001).
33. M. Bockrath, D.H. Cobden, J. Lu, A.G. Rinzler, R.E. Smalley, L. Balents, and P.L. McEuen, Nature (London) 397, 598 (1999); J. Park and P. McEuen, Appl. Phys. Lett. 79, 1363 (2001).
34. M. Bockrath, D.H. Cobden, J. Lu, A.G. Rinzler, R.E. Smalley, L. Balents, and P.L. McEuen, Nature (London) 397, 598 (1999); J. Park and P. McEuen, Appl. Phys. Lett. 79, 1363 (2001).
35. J. Kong, H.T. Soh, A. Cassell, C.F. Quate, and H. Dai, Nature (London) 395, 878 (1998); C. Zhou, J. Kong, and H. Dai, Appl. Phys. Lett. 76, 1597 (2000); C. Zhou, J. Kong, E. Yenilmez, and H. Dai, Science 290, 1552 (2000).
36. J. Kong, H.T. Soh, A. Cassell, C.F. Quate, and H. Dai, Nature (London) 395, 878 (1998); C. Zhou, J. Kong, and H. Dai, Appl. Phys. Lett. 76, 1597 (2000); C. Zhou, J. Kong, E. Yenilmez, and H. Dai, Science 290, 1552 (2000).
37. J. Kong, H.T. Soh, A. Cassell, C.F. Quate, and H. Dai, Nature (London) 395, 878 (1998); C. Zhou, J. Kong, and H. Dai, Appl. Phys. Lett. 76, 1597 (2000); C. Zhou, J. Kong, E. Yenilmez, and H. Dai, Science 290, 1552 (2000).
38. J. Hone, B. Batlogg, Z. Benes, A.T. Johson, and J.E. Fischer, Science 289, 1730 (2000); M. Freitag, M. Radosavljevic, Y. Zhou, A.T. Johnson, and W.F. Smith, Appl. Phys. Lett. 79, 3326 (2001).
39. J. Hone, B. Batlogg, Z. Benes, A.T. Johson, and J.E. Fischer, Science 289, 1730 (2000); M. Freitag, M. Radosavljevic, Y. Zhou, A.T. Johnson, and W.F. Smith, Appl. Phys. Lett. 79, 3326 (2001).
40. M.S. Gudiksen, L.J. Lauhon, J. Wang, D. Smith, and C.M. Lieber, Nature (London) 415, 617 (2002); Y. Xia, P. Yang, Y. Sun, Y. Wu, B. Mayers, B. Gates, Y. Yin, F. Kim, and H. Yan, Adv. Mater. (Weinheim, Ger.) 15, 353 (2003).
41. M.S. Gudiksen, L.J. Lauhon, J. Wang, D. Smith, and C.M. Lieber, Nature (London) 415, 617 (2002); Y. Xia, P. Yang, Y. Sun, Y. Wu, B. Mayers, B. Gates, Y. Yin, F. Kim, and H. Yan, Adv. Mater. (Weinheim, Ger.) 15, 353 (2003).
42. Y. Xue and S. Datta, Phys. Rev. Lett. 83, 4844 (1999); Y. Xue and S. Datta, in Science and Applications of Nanotubes, edited by D. Tománek and R. Enbody (Kluwer, New York, 2000).
43. Y. Xue and S. Datta, Phys. Rev. Lett. 83, 4844 (1999); Y. Xue and S. Datta, in Science and Applications of Nanotubes, edited by D. Tománek and R. Enbody (Kluwer, New York, 2000).
44. F. Leónard and J. Tersoff, Phys. Rev. Lett. 83, 5174 (1999); 84, 4693 (2000).
45. F. Leónard and J. Tersoff, Phys. Rev. Lett. 83, 5174 (1999); 84, 4693 (2000).
46. A.A. Odintsov, Phys. Rev. Lett. 85, 150 (2000).
47. C.L. Kane and E.J. Mele, Appl. Phys. Lett. 78, 114 (2001).
48. T. Nakanishi, A. Bachtold, and C. Dekker, Phys. Rev. B 66, 073307 (2002).
49. E.H. Rhoderick and R.H. Williams, Metal-Semiconductor Contacts, 2nd ed. (Clarendon, Oxford, 1988); H.K. Henisch, Semiconductor Contacts (Clarendon, Oxford, 1984).
50. E.H. Rhoderick and R.H. Williams, Metal-Semiconductor Contacts, 2nd ed. (Clarendon, Oxford, 1988); H.K. Henisch, Semiconductor Contacts (Clarendon, Oxford, 1984).
51. P.-W. Chiu, M. Kaempgen, and S. Roth, Phys. Rev. Lett. 92, 246802 (2004); G. Chen, S. Bandow, E.R. Margine, C. Nisoli, A.N. Kolmogorov, V.H. Crespi, R. Gupta, G.U. Sumanasekera, S. Iijima, and P.C. Eklund, ibid. 90, 257403 (2003).
52. P.-W. Chiu, M. Kaempgen, and S. Roth, Phys. Rev. Lett. 92, 246802 (2004); G. Chen, S. Bandow, E.R. Margine, C. Nisoli, A.N. Kolmogorov, V.H. Crespi, R. Gupta, G.U. Sumanasekera, S. Iijima, and P.C. Eklund, ibid. 90, 257403 (2003).
53. E.D. Minot, Y. Yaish, V. Sazonova, J.-Y. Park, M. Brink, and P.L. McEuen, Phys. Rev. Lett. 90, 156401 (2003); J. Cao, Q. Wang, and H. Dai, ibid. 90, 157601 (2003).
54. E.D. Minot, Y. Yaish, V. Sazonova, J.-Y. Park, M. Brink, and P.L. McEuen, Phys. Rev. Lett. 90, 156401 (2003); J. Cao, Q. Wang, and H. Dai, ibid. 90, 157601 (2003).
55. V. Derycke, R. Martel, J. Appenzeller, and Ph. Avouris, Appl. Phys. Lett. 80, 2773 (2002); S. Heinze, J. Tersoff, R. Martel, V. Derycke, J. Appenzeller, and Ph. Avouris, Phys. Rev. Lett. 89, 106801 (2002); S.J. Wind, J. Appenzeller, and Ph. Avouris, ibid. 91, 058301 (2003).
56. V. Derycke, R. Martel, J. Appenzeller, and Ph. Avouris, Appl. Phys. Lett. 80, 2773 (2002); S. Heinze, J. Tersoff, R. Martel, V. Derycke, J. Appenzeller, and Ph. Avouris, Phys. Rev. Lett. 89, 106801 (2002); S.J. Wind, J. Appenzeller, and Ph. Avouris, ibid. 91, 058301 (2003).
57. V. Derycke, R. Martel, J. Appenzeller, and Ph. Avouris, Appl. Phys. Lett. 80, 2773 (2002); S. Heinze, J. Tersoff, R. Martel, V. Derycke, J. Appenzeller, and Ph. Avouris, Phys. Rev. Lett. 89, 106801 (2002); S.J. Wind, J. Appenzeller, and Ph. Avouris, ibid. 91, 058301 (2003).
58. A. Javey, J. Guo, Q. Wang, M. Lundstrom, and H. Dai, Nature (London) 424, 654 (2003); J. Tersoff, ibid. 424, 622 (2003).
59. A. Javey, J. Guo, Q. Wang, M. Lundstrom, and H. Dai, Nature (London) 424, 654 (2003); J. Tersoff, ibid. 424, 622 (2003).
60. Y. Yaish, J.-Y. Park, S. Rosenblatt, V. Sazonova, M. Brink, and P.L. McEuen, Phys. Rev. Lett. 92, 046401 (2004).
61. W. Mönch, Rep. Prog. Phys. 53, 221 (1990); See also W. Mönch, Semiconductor Surfaces and Interfaces, 2nd ed. (Springer, Berlin, 1995).
62. W. Mönch, Rep. Prog. Phys. 53, 221 (1990); See also W. Mönch, Semiconductor Surfaces and Interfaces, 2nd ed. (Springer, Berlin, 1995).
63. G. Margaritondo, Rep. Prog. Phys. 62, 765 (1999); M. Peressi, N. Binggeli, and A. Baldereschi, J. Phys. D 31, 1273 (1998).
64. G. Margaritondo, Rep. Prog. Phys. 62, 765 (1999); M. Peressi, N. Binggeli, and A. Baldereschi, J. Phys. D 31, 1273 (1998).
65. W. Mönch, J. Vac. Sci. Technol. B 17, 1867 (1999); R.T. Tung, Phys. Rev. Lett. 84, 6078 (2000).
66. W. Mönch, J. Vac. Sci. Technol. B 17, 1867 (1999); R.T. Tung, Phys. Rev. Lett. 84, 6078 (2000).
67. F. Berz, Solid-State Electron. 28, 1007 (1985); C.M. Maziar and M.S. Lundstrom, Electron. Lett. 23, 61 (1987).
68. F. Berz, Solid-State Electron. 28, 1007 (1985); C.M. Maziar and M.S. Lundstrom, Electron. Lett. 23, 61 (1987).
69. R. Landauer, Phys. Scr., T T42, 110 (1992); J. Phys.: Condens. Matter 1, 8099 (1989).
70. R. Landauer, Phys. Scr., T T42, 110 (1992); J. Phys.: Condens. Matter 1, 8099 (1989).
71. T. Ando and T. Nakanishi, J. Phys. Soc. Jpn. 67, 1704 (1998); T. Ando, T. Nakanishi, and R. Saito, ibid. 67, 2857 (1998).
72. T. Ando and T. Nakanishi, J. Phys. Soc. Jpn. 67, 1704 (1998); T. Ando, T. Nakanishi, and R. Saito, ibid. 67, 2857 (1998).
73. C.L. Kane and E.J. Mele, Phys. Rev. Lett. 78, 1932 (1997); Z. Yao, C.L. Kane, and C. Dekker, ibid. 84, 2941 (2000).
74. C.L. Kane and E.J. Mele, Phys. Rev. Lett. 78, 1932 (1997); Z. Yao, C.L. Kane, and C. Dekker, ibid. 84, 2941 (2000).
75. C.T. White and T.N. Todorov, Nature (London) 393, 240 (1998).
76. J.-Y. Park, S. Rosenblatt, Y. Yaish, V. Sazonova, H. Ustunel, S. Braig, T.A. Arias, P. Brouwer, and P.L. McEuen, Nano Lett. 4, 517 (2004); A. Javey, J. Guo, M. Paulsson, Q. Wang, D. Mann, M. Lundstrom, and H. Dai, Phys. Rev. Lett. 92, 106804 (2004).
77. J.-Y. Park, S. Rosenblatt, Y. Yaish, V. Sazonova, H. Ustunel, S. Braig, T.A. Arias, P. Brouwer, and P.L. McEuen, Nano Lett. 4, 517 (2004); A. Javey, J. Guo, M. Paulsson, Q. Wang, D. Mann, M. Lundstrom, and H. Dai, Phys. Rev. Lett. 92, 106804 (2004).
78. R.W. Keyes, Proc. IEEE 89, 227 (2001); 63, 740 (1975).
79. R.W. Keyes, Proc. IEEE 89, 227 (2001); 63, 740 (1975).
80. J. Guo, S. Datta, M. Lundstrom, M. Brink, P. McEuen, A. Javey, H. Dai, H. Kim, and P. McIntyre, in IEDM Tech. Dig., Dec. 2002, p. 29.3.
81. D. Orlikowski, H. Mehrez, J. Taylor, H. Guo, J. Wang, and C. Roland, Phys. Rev. B 63, 155412 (2001).
82. Y. Xue and M.A. Ratner, Appl. Phys. Lett. 83, 2429 (2003).
83. Y. Xue and M.A. Ratner, Phys. Rev. B 69, 161402(R) (2004).
84. S. Dag, O. Gülseren, S. Ciraci, and T. Yildirim, Appl. Phys. Lett. 83, 3180 (2003).
85. For recent reviews, see M.A. Reed, Proc. IEEE 97, 652 (1999); C. Joachim, J.K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000); A. Nitzan and M.A. Ratner, Science 300, 1384 (2003); J.R. Heath and M.A. Ratner, Phys. Today 56, 43 (2003), and references therein.
86. For recent reviews, see M.A. Reed, Proc. IEEE 97, 652 (1999); C. Joachim, J.K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000); A. Nitzan and M.A. Ratner, Science 300, 1384 (2003); J.R. Heath and M.A. Ratner, Phys. Today 56, 43 (2003), and references therein.
87. For recent reviews, see M.A. Reed, Proc. IEEE 97, 652 (1999); C. Joachim, J.K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000); A. Nitzan and M.A. Ratner, Science 300, 1384 (2003); J.R. Heath and M.A. Ratner, Phys. Today 56, 43 (2003), and references therein.
88. For recent reviews, see M.A. Reed, Proc. IEEE 97, 652 (1999); C. Joachim, J.K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000); A. Nitzan and M.A. Ratner, Science 300, 1384 (2003); J.R. Heath and M.A. Ratner, Phys. Today 56, 43 (2003), and references therein.
89. Y. Xue, S. Datta, and M.A. Ratner, J. Chem. Phys. 115, 4292 (2001).
90. Y. Xue and M.A. Ratner, Phys. Rev. B 68, 115406 (2003); 68, 115407 (2003); 69, 085403 (2004).
91. Y. Xue and M.A. Ratner, Phys. Rev. B 68, 115406 (2003); 68, 115407 (2003); 69, 085403 (2004).
92. Y. Xue and M.A. Ratner, Phys. Rev. B 68, 115406 (2003); 68, 115407 (2003); 69, 085403 (2004).
93. C.W. J. Beenakker and H. van Houten, Solid State Phys. 44, 1 (1991); Y. Imry and R. Landauer, Rev. Mod. Phys. 71, S306 (1999); Y. Imry, Introduction to Mesoscopic Physics, 2nd ed. (Oxford University Press, Oxford, 2002).
94. C.W. J. Beenakker and H. van Houten, Solid State Phys. 44, 1 (1991); Y. Imry and R. Landauer, Rev. Mod. Phys. 71, S306 (1999); Y. Imry, Introduction to Mesoscopic Physics, 2nd ed. (Oxford University Press, Oxford, 2002).
95. C.W. J. Beenakker and H. van Houten, Solid State Phys. 44, 1 (1991); Y. Imry and R. Landauer, Rev. Mod. Phys. 71, S306 (1999); Y. Imry, Introduction to Mesoscopic Physics, 2nd ed. (Oxford University Press, Oxford, 2002).
96. M. Büttiker, Phys. Rev. Lett. 57, 1761 (1986).
97. R. Landauer, IBM J. Res. Dev. 32, 306 (1988); M. Büttiker, ibid. 32, 317 (1988).
98. R. Landauer, IBM J. Res. Dev. 32, 306 (1988); M. Büttiker, ibid. 32, 317 (1988).
99. Y. Xue, S. Datta, and M.A. Ratner, J. Chem. Phys. 115, 4292 (2001); Chem. Phys. 281, 151 (2002); Y. Xue, Ph. D. thesis, School of Electrical and Computer Engineering, Purdue University, 2000.
100. Y. Xue, S. Datta, and M.A. Ratner, J. Chem. Phys. 115, 4292 (2001); Chem. Phys. 281, 151 (2002); Y. Xue, Ph. D. thesis, School of Electrical and Computer Engineering, Purdue University, 2000.
101. Y. Xue, S. Datta, and M.A. Ratner, J. Chem. Phys. 115, 4292 (2001); Chem. Phys. 281, 151 (2002); Y. Xue, Ph. D. thesis, School of Electrical and Computer Engineering, Purdue University, 2000.
102. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001); C.-C. Kaun, B. Larade, H. Mehrez, J. Taylor, and H. Guo, ibid. 65, 205416 (2002).
103. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001); C.-C. Kaun, B. Larade, H. Mehrez, J. Taylor, and H. Guo, ibid. 65, 205416 (2002).
104. S. Datta, Electron Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, 1995); D.K. Ferry and S.M. Goodnick, Transport in Nanostructures (Cambridge University Press, Cambridge, 1997).
105. S. Datta, Electron Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, 1995); D.K. Ferry and S.M. Goodnick, Transport in Nanostructures (Cambridge University Press, Cambridge, 1997).
106. Y. Meir and N.S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992); A.P. Jauho, N.S. Wingreen, and Y. Meir, Phys. Rev. B 50, 5528 (1994); H. Haug and A-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1996).
107. Y. Meir and N.S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992); A.P. Jauho, N.S. Wingreen, and Y. Meir, Phys. Rev. B 50, 5528 (1994); H. Haug and A-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1996).
108. Y. Meir and N.S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992); A.P. Jauho, N.S. Wingreen, and Y. Meir, Phys. Rev. B 50, 5528 (1994); H. Haug and A-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1996).
109. Theory of The Inhomogeneous Electron Gas, edited by S. Lundqvist and N.H. March (Plenum, New York, 1983); R.M. Dreizler and E.K. U. Gross, Density Functional Theory: An Approach to the Quantum Many-Body Problem (Springer-Verlag, Berlin, 1990).
110. Theory of The Inhomogeneous Electron Gas, edited by S. Lundqvist and N.H. March (Plenum, New York, 1983); R.M. Dreizler and E.K. U. Gross, Density Functional Theory: An Approach to the Quantum Many-Body Problem (Springer-Verlag, Berlin, 1990).
111. C.M. Goringe, D.R. Bowler, and E. Hernández, Rep. Prog. Phys. 60, 1447 (1997).
112. R. Lake, G. Klimeck, R.C. Bowen, and D. Jovanovic, J. Appl. Phys. 81, 7845 (1997).
113. Y. Xue, S. Datta, S. Hong, R. Reifenberger, J.I. Henderson, and C.P. Kubiak, Phys. Rev. B 59, R7852 (1999).
114. C. Joachim and J.F. Vinuesa, Europhys. Lett. 33, 635 (1996); M. Magoga and C. Joachim, Phys. Rev. B 59, 16 011 (1999).
115. C. Joachim and J.F. Vinuesa, Europhys. Lett. 33, 635 (1996); M. Magoga and C. Joachim, Phys. Rev. B 59, 16 011 (1999).
116. W. Tian, S. Datta, S. Hong, R. Reifenberger, J.J. Henderson, and C.P. Kubiak, J. Chem. Phys. 109, 2874 (1998).
117. V. Mujica, A.E. Roitberg, and M.A. Ratner, J. Chem. Phys. 112, 6834 (2000).
118. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifen, Phys. Rev. B 58, 7260 (1998); T. Frauenheim, G. Seifert, M. Elstner, T. Niehaus, C. Köhler, M. Amkreutz, M. Sternberg, Z. Hajnal, A.D. Carlo, and S. Suhai, J. Phys.: Condens. Matter 14, 3015 (2002).
119. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifen, Phys. Rev. B 58, 7260 (1998); T. Frauenheim, G. Seifert, M. Elstner, T. Niehaus, C. Köhler, M. Amkreutz, M. Sternberg, Z. Hajnal, A.D. Carlo, and S. Suhai, J. Phys.: Condens. Matter 14, 3015 (2002).
120. Y. Xue and M.A. Ratner, Mater. Res. Soc. Symp. Proc. 734, B6.8 (2003).
121. J.D. Jackson, Classical Electrodynamics, 2nd ed. (Wiley, New York, 1975).
122. The image plane is chosen to lie at the second atomic layer under the metal surface to avoid the divergence very close to the surface, as suggested by Lang and Kohn in their classical treatment of metal surfaces. See N.D. Lang and W. Kohn, Phys. Rev. B 1, 4555 (1970); 7, 3541 (1973).
123. The image plane is chosen to lie at the second atomic layer under the metal surface to avoid the divergence very close to the surface, as suggested by Lang and Kohn in their classical treatment of metal surfaces. See N.D. Lang and W. Kohn, Phys. Rev. B 1, 4555 (1970); 7, 3541 (1973).
124. A.R. Williams, P.J. Feibelman, and N.D. Lang, Phys. Rev. B 26, 5433 (1982); R. Zeller, J. Deuta, and P.H. Dederichs, Solid State Commun. 44, 993 (1982).
125. A.R. Williams, P.J. Feibelman, and N.D. Lang, Phys. Rev. B 26, 5433 (1982); R. Zeller, J. Deuta, and P.H. Dederichs, Solid State Commun. 44, 993 (1982).
126. The work functions of gold and titanium used here are those of polycrystalline materials since the metallic electrodes used in most experiments are almost never close to being single-crystalline.
127. CRC Handbook of Chemistry and Physics (CRC Press, Boca Raton, 1994).
128. R. Hoffmann, Rev. Mod. Phys. 60, 601 (1988), and references therein.
129. It has been shown by A. Rochefort, D.R. Salahub, and Ph. Avouris [J. Phys. Chem. B 103, 641 (1999)] that EHT gives a good description of SWNT band structure as compared to the local-density-functional theory with similar minimal valence basis sets.
130. D.A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids (Plenum, New York, 1986).
131. D.J. Chadi and M.L. Cohen, Phys. Status Solidi B 68, 405 (1975).
132. J. Tersoff and W.A. Harrison, Phys. Rev. Lett. 58, 2367 (1987); I. Lefebvre, M. Lannoo, C. Priester, G. Allan, and C. Delerue, Phys. Rev. B 36, 1336 (1987).
133. J. Tersoff and W.A. Harrison, Phys. Rev. Lett. 58, 2367 (1987); I. Lefebvre, M. Lannoo, C. Priester, G. Allan, and C. Delerue, Phys. Rev. B 36, 1336 (1987).
134. J. Tersoff, Phys. Rev. Lett. 52, 465 (1984); J. Tersoff, in Heterojunction Band Structure Discontinuities: Physics and Device Applications, edited by F. Capasso and G. Margaritondo (North-Holland, Amsterdam, 1987).
135. J. Tersoff, Phys. Rev. Lett. 52, 465 (1984); J. Tersoff, in Heterojunction Band Structure Discontinuities: Physics and Device Applications, edited by F. Capasso and G. Margaritondo (North-Holland, Amsterdam, 1987).
136. J. Friedel, Philos. Mag. 43, 153 (1952).
137. J. Bardeen, Phys. Rev. 71, 717 (1947); V. Heine, Phys. Rev. 138, A1689 (1965); C. Tejedor, F. Flores, and E. Louis, J. Phys. C 10, 2163 (1977).
138. J. Bardeen, Phys. Rev. 71, 717 (1947); V. Heine, Phys. Rev. 138, A1689 (1965); C. Tejedor, F. Flores, and E. Louis, J. Phys. C 10, 2163 (1977).
139. J. Bardeen, Phys. Rev. 71, 717 (1947); V. Heine, Phys. Rev. 138, A1689 (1965); C. Tejedor, F. Flores, and E. Louis, J. Phys. C 10, 2163 (1977).
140. S.G. Louie and M.L. Cohen, Phys. Rev. B 13, 2461 (1976); S.G. Louie, J.R. Chelikowsky, and M.L. Cohen, ibid. 15, 2154 (1977).
141. S.G. Louie and M.L. Cohen, Phys. Rev. B 13, 2461 (1976); S.G. Louie, J.R. Chelikowsky, and M.L. Cohen, ibid. 15, 2154 (1977).
142. N.D. Lang and Ph. Avouris, Phys. Rev. Lett. 84, 358 (2000).
143. Note that for the metal-SWNT distance of ΔL=2.5(Å), there is a small difference between the calculated transferred charge and potential change reported here and those in Ref. 45 because we use a refined integration grid here. None of the conclusions reached there is affected by this difference, which also provides a numerical test for the SCTB model.
144. F. Leónard and J. Tersoff, Appl. Phys. Lett. 81, 4835 (2002).
145. M. Magoga and C. Joachim, Phys. Rev. B 57, 1820 (1998).
146. J.K. Tomfohr and O.F. Sankey, Phys. Rev. B 65, 245105 (2002). Although this paper was intended for devices based on short organic molecules, it is more appropriate for the SWNT junctions considered here, which are composed of repeating units; See also G. Fagas and A. Kambili, cond-mat/0403694 (unpublished).
147. J.K. Tomfohr and O.F. Sankey, Phys. Rev. B 65, 245105 (2002). Although this paper was intended for devices based on short organic molecules, it is more appropriate for the SWNT junctions considered here, which are composed of repeating units; See also G. Fagas and A. Kambili, cond-mat/0403694 (unpublished).
148. C.R. Crowell and S.M. Sze, Solid-State Electron. 9, 1035 (1966); F.A. Padovani and R. Stratton, ibid. 9, 695 (1966); K. Shenai and R.W. Dutton, IEEE Trans. Electron Devices 35, 468 (1988).
149. C.R. Crowell and S.M. Sze, Solid-State Electron. 9, 1035 (1966); F.A. Padovani and R. Stratton, ibid. 9, 695 (1966); K. Shenai and R.W. Dutton, IEEE Trans. Electron Devices 35, 468 (1988).
150. C.R. Crowell and S.M. Sze, Solid-State Electron. 9, 1035 (1966); F.A. Padovani and R. Stratton, ibid. 9, 695 (1966); K. Shenai and R.W. Dutton, IEEE Trans. Electron Devices 35, 468 (1988).
151. L.D. Landau and E.M. Lifshitz, Quantum Mechanics: Non-Relativistic Theory (Pergamon, Oxford, 1977).
152. M. Büttiker, IBM J. Res. Dev. 32, 63 (1988).
153. M. Büttiker, J. Phys.: Condens. Matter 5, 9361 (1993); T. Christen and M. Büttiker, Europhys. Lett. 35, 523 (1996).
154. M. Büttiker, J. Phys.: Condens. Matter 5, 9361 (1993); T. Christen and M. Büttiker, Europhys. Lett. 35, 523 (1996).
155. E.H. Nicollian and J.R. Brews, MOS (Metal Oxide Semiconductor) Physics and Technology (Wiley, New York, 1982).