Conclusions
The computation of the STS spectra of carbon nanotubes indicates that, the dI/dV curves reproduce well the essential features of local density of states. The simulation of the STM topographic profiles show that the nanotube images with atomic resolution are affected by a geometric distortion induced by the curvature of the tube. This distortion stretches the honeycomb network in the direction normal to the axis, and influences the measured helicity. Like single-wall tubules, multi-wall nanotubes do not present a site asymmetry similar to that of multilayer graphite, except for special, symmetric configurations. Geometrical and topographic defects have typical signatures in STM that might identify them. In particular, a somewhat larger protrusion is predicted to occur on a pentagon, more especially with a negative bias of the tip.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
J.W.G. Wildoer, L.C. Venema, A.G. Rinzler, R.E. Smalley, and C. Dekker, Nature 391, 59 (1998).
T.W. Odom, J.L. Huang, Ph. Kim, and Ch.M. Lieber, Nature 391, 62 (1998).
A. Hassanien, M. Tokumoto, Y. Kumazawa, H. Kataura, Y. Maniwa, S. Suzuki, and Y. Achiba, Appl. Phys. Lett. 73, 3839 (1998).
M. Ge and K. Sattler, Science 260, 515 (1993).
M.J. Gallagher, D. Chen, B.P. Jacobsen, D. Sarid, L.D. Lamb, F.A. Tinker, J. Jiao, D.R. Huffman, S. Seraphin, and D. Zhou, Surf. Sci. 281, L335 (1993).
T.W. Ebbesen, H. Hiura, J. Fujita, Y. Ochiai, S. Matsui, and K. Tanigaki, Chem. Phys. Lett. 209, 83 (1993).
Z. Zhang and C.M. Lieber, Appl. Phys. Lett. 62, 2792 (1993).
V. Meunier and Ph. Lambin, Phys. Rev. Lett. 81, 5888 (1998).
L.P. Biró, S. Lazarescu, Ph. Lambin, P.A. Thiry, A. Fonseca, J. B. Nagy, and A.A. Lucas, Phys. Rev. B 56, 12490 (1997).
G.I. Márk, L.P. Biró, and J. Gyulai, Phys. Rev. B 58, 12645 (1998).
D.L. Carroll, P. Redlich, P.M. Ajayan, J.C. Charlier, X. Blase, A. De Vita, and R. Car, Phys. Rev. Lett. 78, 2811 (1997).
A. Rubio, D. Sanchez-Portal, E. Artacho, P. Ordejon, and J.M. Soler, Phys. Rev. Lett. 82, 3520 (1999).
L.C. Venema, J.W.G. Wildoer, J.W. Janssen, S.J. Tans, H.L.J. Temminck Tuin-stra, L.P. Kouwenhoven, and C. Dekker, Science 283, 52 (1999).
A. Rubio, Appl. Phys. A 68, 275 (1999).
K. Kobayashi and M. Tsukada, J. Vac. Sci. Technol. A 8, 170 (1990).
J. Tersoff and D.R. Hamann, Phys. Rev. Lett. 50, 1998 (1983).
R. Haydock, V. Heine, and M.J. Kelly, J. Phys. C Solid St. Phys. 5, 2845 (1972).
J. Inoue, A. Okada, and Y. Ohta, J. Phys.: Condens. Matter 5, L465 (1995).
The ground-sate electronic structure of the nanotubes and the local density of states were computed with the pseudopotential density functional technique (DFT) B.I. Yakobson, and J. Bernholc, Phys. Rev. B 57, R4277 (1998); P. Zhang, P.E. Lammert, and V.H. Crespi, Phys. Rev. Lett. 81, 5346 (1998). M.L. Cohen, Solid State Commun. 92, 45 (1994); Phys. Scri. 1, 5 (1982); J. Ihm, A. Zunger, M.L. Cohen, J. Phys. C 12, 4409 (1979) 52,53 using plane-wave expansions with a cut-off energy of 48 Ry. The convergence with respect to both the plane-wave cutoff and super-cell size has been carefully checked. Norm-conserving pseudopotentials as proposed by Troullier and Martins 54 were used. As usual, the exchange and correlation effects were described within the local density approximation using the Perdew-Zunger parametrization of the Ceperley-Alder data. 55
J.C. Charlier, J.P. Michenaud, and Ph. Lambin, Phys. Rev. B 46, 4540 (1992).
D. Tománek and S.G. Louie, Phys. Rev. B 37, 8327 (1988).
P. Kim, T. Odom, J.L. Huang, and C.M. Lieber, Phys. Rev. Lett. 82, 1225 (1999).
J.W. Mintmire, B.I. Dunlap, and C.T. White, Phys. Rev. Lett. 68, 631 (1992).
N. Hamada, S.I. Sawada and A. Oshiyama, Phys. Rev. Lett. 68, 1579 (1992).
K. Tanaka, K. kahara, M. Okada, and T. Yamabe, Chem. Phys. Lett. 191, 469 (1992).
J.W. Mintmire and C.T. White, Phys. Rev. Lett. 81, 2506 (1998),.
J.C. Charlier and Ph. Lambin, Phys. Rev. B 57, R15037 (1998).
C.L. Kane and E.J. Mele, Phys. Rev. B 59, R12759 (1999).
Ph. Lambin, A. Fonseca, J.P. Vigneron, J.B. Nagy, and A.A. Lucas, Chem. Phys. Lett. 245, 85 (1995).
Ph. Lambin, A.A. Lucas, and J.C. Charlier, J. Phys. Chem. Soliods 58, 1833 (1997).
The electronic structure is easily resolved in shortest pieces of armchair nanotubes. See V. Meunier and Ph. Lambin, Phys. Rev. B (1999, in press).
M. Ge and K. Sattler, Appl. Phys. Lett. 65, 2284 (1994).
L.C. Venema, V. Meunier, Ph. Lambin, and C. Dekker, Phys. Rev. B, submitted (July 1999).
L.C. Venema, J.W.G. Wildoer, C. Dekker, A.G. Rinzler, and R.E. Smalley, Appl. Phys. A 66, S153 (1998).
N. Lin, J. Ding, S. Yang, and N. Cue, Carbon 34, 1295 (1996).
Ph. Lambin, J.C. Charlier, and J.P. Michenaud, in “Progress in fullerene research”, H. Kuzmany, J. Fink, M. Mehring, and S. Roth (Edits.), World Scientific, Singapore, 130 (1994).
R. Saito, G. Dresselhaus, and M.S. Dresselhaus, J. Appl. Phys. 73, 494 (1993).
Y.K. Kwon and D. Tománek, Phys. Rev. B 58, R16001 (1998).
R. Saito, M. Fujita, G. Dresselhaus, and M.S. Dresselhaus, Phys. Rev. B 46, 1804 (1992).
V. Meunier, Ph D Thesis, University of Namur, Belgium (in preparation).
J.C. Charlier and J.P. Michenaud, Phys. Rev.Lett. 70, 1858 (1993).
W. Clauss, D.J. Bergeron, and A.T. Johnson, Phys. Rev. B 58, R4266 (1998).
C.L. Kane and E.J. Mele, Phys. Rev. Lett. 78, 1932 (1997).
B.I. Dunlap, Phys. Rev. B 46, 1933 (1992).
S. lijima, T. Ichihashi, and Y. Ando, Nature 356, 776 (1992).
M. Terrones, W.K. Hsu, J.P. Hare, H.W. Kroto, H. Terrones, and D.R.M. Walton, Phil. Trans. R. Soc. London A 354, 2025 (1996).
C. Dekker, Physics Today 52, 22 (May 1999).
R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Phys. Rev. B 53, 2044 (1996).
L. Chico, V.H. Crespi, L.X. Benedict, S.G. Louie, and M.L. Cohen, Phys. Rev. Lett. 76, 971 (1996).
A.J. Stone and D.J. Wales, Chem. Phys. Lett. 128, 501 (1986).
H. Terrones and M. Terrones, J. Phys. Chem. Solids 58, 1789 (1997).
M. Buongiorno Nardelli, B.I. Yakobson, and J. Bernholc, Phys. Rev. B 57, R4277 (1998); P. Zhang, P.E. Lammert, and V.H. Crespi, Phys. Rev. Lett. 81, 5346 (1998).
M.L. Cohen, Solid State Commun. 92, 45 (1994); Phys. Scri. 1, 5 (1982); J. Ihm, A. Zunger, M.L. Cohen, J. Phys. C 12, 4409 (1979).
W.E. Pickett, Comput. Phys. Rep. 9, 115 (1989); M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
N. Troullier, J.L. Martins, Solid State Commun. 74 (1990) 613; Phys. Rev. B 43, 1993 (1991).
D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45, 1196 (1980); J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2002 Kluwer Academic Publishers
About this chapter
Cite this chapter
Lambin, P., Meunier, V., Rubio, A. (2002). Simulation of STM Images and STS Spectra of Carbon Nanotubes. In: Thorpe, M.F., Tománek, D., Enbody, R.J. (eds) Science and Application of Nanotubes. Fundamental Materials Research. Springer, Boston, MA. https://doi.org/10.1007/0-306-47098-5_2
Download citation
DOI: https://doi.org/10.1007/0-306-47098-5_2
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-306-46372-3
Online ISBN: 978-0-306-47098-1
eBook Packages: Springer Book Archive