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Atomic Transformations and Quantum Transport in Carbon Nanotubes

Published online by Cambridge University Press:  10 February 2011

J. Bernholc,
M. Buongiorno Nardelli,
J.-L. Fattebert,
D. Orlikowski,
C. Roland,
F. Rosef and
Q. Zhao
J. Bernholc
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
M. Buongiorno Nardelli
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
J.-L. Fattebert
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
D. Orlikowski
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
C. Roland
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
F. Rosef
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
Q. Zhao
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, bernholc@ncsu.edu
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Abstract

High strain conditions can lead to a variety of atomic transformations in nanotubes, which usually occur via successive bond rotations. The energetic barrier for the rotation is dramatically lowered by strain, and ab initio results for its strain dependence are presented. While very high strain rates must lead to tube breakage, (n,m) nanotubes with n, m < 14 can display plastic flow under suitable conditions. This occurs through the formation of a 5-7-7-5 defect, which then splits into two 5-7 pairs. The index of the tube changes between the 5-7 pairs, potentially leading to metal-semiconductor junctions. The high strain conditions can be imposed on the tube via, e.g., AFM tip manipulations, and we show that such procedures can lead to intratube device formation.

The defects and the index changes occurring during the mechanical transformations also affect the electrical properties of nanotubes. We have computed the quantum conductances of strained defective and deformed tubes using the tight binding method. The results show that the defect density and the contacts play key roles in reducing the conductance at the Fermi energy. We also explored the role of bending in changing the electrical properties and found that mechanical deformations affect differently the transport properties of achiral and chiral nanotubes. Our results are in good agreement with recent experimental data.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 593: Symposium U – Amorphous & Nanostructured Carbon , 1999, 547
Copyright
Copyright © Materials Research Society 2000

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References

REFERENCES

[1] Iijima, S., Brabec, C., Maiti, A. and Bernholc, J., J. Chem. Phys. 104, 2089 (1996).Google Scholar
[2] Yakobson, B.I., Brabec, C. J., and Bernholc, J., Phys. Rev. Lett. 76, 2511 (1996).Google Scholar
[3] Despres, J., Daguerre, E. and Lafdi, K., Carbon 33, 87 (1995).Google Scholar
[4] Chopra, N., Benedict, L., Crespi, V., Cohen, M.L., Louie, S.G. and Zettl, A., Nature 377, 135 (1995); R. Ruoff and D. Lorents, Bull. Am. Phys. Soc. 40, 173 (1995).Google Scholar
[5] See, for instance, Falvo, M.R., Clary, G.J., Taylor, R.M. II, Chi, V., Brooks, F.P. Jr., Washburn, S. and Superfine, R., Nature 389, 582 (1997).Google Scholar
[6] Nardelli, M. Buongiorno, Yakobson, B.I. and Bernholc, J., Phys. Rev. B 57, R4277 (1998); Phys. Rev. Lett. 81, 4656 (1998).Google Scholar
[7] Stone, A.J. and Wales, D.J., Chem. Phys. Lett. 128, 501 (1986).Google Scholar
[8] Collins, P.G., Zettl, A., Bando, H., Thess, A. and Smalley, R., Science 278, 100 (1996); S.N. Song, X.K. Wang, R.P.H. Chang and J.B. Ketterson, Phys. Rev. Lett. 72, 697 (1994); L. Langer, L. Stockman, J.P. Heremans, V. Bayot, C.H. Olk, C. Van Haesendonck, Y. Bruynseraede and J.P. Issi, J. Mater. Res. 9, 927 (1994); L. Langer, V. Bayot, E. Grivei, J.P. Issi, J.P. Heremans, C.H. Olk, L. Stockman, C. Van Haesendonck and Y. Bruynseraede, Phys. Rev. Lett. 76, 479 (1996); S.J. Tans, M.H. Devoret, H. Dai, A. Thess, R.E. Smalley, L.J. Georliga and C. Dekker, Nature 386, 474 (1997); A. Bachtold, C. Strunk, J.P. Salvetat, J.M. Bonnard, L. Forré, T. Nussbaumer and C. Schonenberger, Nature 397, 673 (1999).Google Scholar
[9] Bezryadin, A., Verschueren, A.R.M., Tans, S.J. and Dekker, C., Phys. Rev. Lett. 80, 4036 (1998).Google Scholar
[10] Paulson, S., Falvo, M.R., Snider, N., Helser, A., Hudson, T., Seeger, A., Taylor, R.M. II, Superfine, R. and Washburn, S., http://xxx.lanl.gov/abs/cond-mat/9905304, preprint (1999).Google Scholar
[11] Tian, W. and Datta, S., Phys. Rev. B 49, 5097 (1994).Google Scholar
[12] Saito, R., Dresselhaus, G., Dresselhaus, M.S., Phys. Rev. B 53, 2044 (1996).Google Scholar
[13] Chico, L., Benedict, L.X., Louie, S.G. and Cohen, M.L., Phys. Rev. B 54, 2600 (1996).Google Scholar
[14] Tamura, R. and Tsukada, M., Phys. Rev. B 55, 4991 (1997); ibid, 58, 8120 (1998).Google Scholar
[15] Anantran, M.P. and Govindan, T.R., Phys. Rev. B 58, 4882 (1998).Google Scholar
[16] Farajian, A.A., Esfarjani, K. and Kawazoe, Y., Phys. Rev. Lett. 82, 5084 (1999).Google Scholar
[17] Choi, H.J. and Ihm, J., Phys. Rev. B 59, 2267 (1999).Google Scholar
[18] Rochefort, A., Lesage, F., Salahub, D.R. and Avouris, P., http://xxx.lanl.gov/abs/condmat/9904083, preprint (1999).Google Scholar
[19] Nardelli, M. Buongiorno, Phys. Rev. B, 60, 7828 (1999).Google Scholar
[20] See, for instance, Dresselhaus, M.S., Dresselhaus, G. and Eklund, P.C., Science of fullerenes and carbon nanotubes (Academic Press, San Diego, 1996). We do not discuss the many-body effects that may lead to insulating behavior at temperatures near O K.Google Scholar
[21] Blase, X., Benedict, L.X., Shirley, E.L. and Louie, S.G., Phys. Rev. Lett. 72, 1878 (1994).Google Scholar
[22] Ihm, J. and Louie, S.G., private communication (1999).Google Scholar
[23] Nardelli, M. Buongiorno and Bernholc, J., unpublished (1999).Google Scholar
[24] Crespi, V.H., Cohen, M.L. and Rubio, A., Phys. Rev. Lett. 79, 2093 (1997).Google Scholar