Hostname: page-component-78c5997874-j824f Total loading time: 0 Render date: 2024-11-13T03:07:06.775Z Has data issue: false hasContentIssue false
  • English
  • Français

Stability and Structural Transition of Gold Nanowires under Their Own Surface Stresses

Published online by Cambridge University Press:  01 February 2011

Ken Gall ,
Michael Haftel ,
Jiankuai Diao ,
Martin L. Dunn ,
Noam Bernstein  and
Michael J. Mehl
Ken Gall
Affiliation:
Department of Mechanical Engineering, University of Colorado at Boulder Boulder, CO 80309.
Michael Haftel
Affiliation:
Center for Computational Materials Science, Naval Research Laboratory, Washington, D.C. 20375
Jiankuai Diao*
Affiliation:
Department of Mechanical Engineering, University of Colorado at Boulder Boulder, CO 80309.
Martin L. Dunn
Affiliation:
Department of Mechanical Engineering, University of Colorado at Boulder Boulder, CO 80309.
Noam Bernstein
Affiliation:
Center for Computational Materials Science, Naval Research Laboratory, Washington, D.C. 20375
Michael J. Mehl
Affiliation:
Center for Computational Materials Science, Naval Research Laboratory, Washington, D.C. 20375
*
* E-mail address: diao@colorado.edu.
Get access

Abstract

First-principle, tight binding, and semi-empirical embedded atom calculations are used to investigate a tetragonal phase transformation in gold nanowires. As wire diameter is decreased, tight binding and modified embedded atom simulations predict a surface-stress-induced phase transformation from a face-centered-cubic (fcc) <100> nanowire into a body-centered-tetragonal (bct) nanowire. In bulk gold, all theoretical approaches predict a local energy minimum at the bct phase, but tight binding and first principle calculations predict elastic instability of the bulk bct phase. The predicted existence of the stable bct phase in the nanowires is thus attributed to constraint from surface stresses. The results demonstrate that surface stresses are theoretically capable of inducing phase transformation and subsequent phase stability in nanometer scale metallic wires under appropriate conditions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 854: Symposium U – Stability of Thin Films and Nanostructures , 2004 , U5.7
Copyright
Copyright © Materials Research Society 2005

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

(1) Johnson, C. J., Dujardin, E., Davis, S. A., Murphy, C. J., and Mann, S.. J. Mater. Chem. 12, pp. 1765–1770 (2002).Google Scholar
(2) Xia, Y., Yang, P., Sun, Y., Wu, Y., Mayers, B., Gates, B., Yin, Y., Kim, F., and Yan, H., Adv. Mater. 15, pp. 353–389 (2003).Google Scholar
(3) Agrait, N., Rubio, G., and Vieira, S., Phys. Rev. Lett. 74, 3995–3998 (1995).Google Scholar
(4) Brandbyge, M., Schiotz, J., Sorensen, M. R., Stoltze, P., Jacobsen, K. W., Norskov, J. K., Olesen, L., Laegsgaard, E., Stensgaard, I., and Besebbacher, F,, Phys. Rev. B 52, 8499–8514 (1995).Google Scholar
(5) Stalder, A. and Durig, U., J. Vac. Sci. Tech. 14, 1259–1263 (1996).Google Scholar
(6) Kondo, Y. and Takayanagi, K., Phys. Rev. Lett. 79, 3455–3458 (1997).Google Scholar
(7) Ohnishi, H., Kondo, Y., and Takayanagi, K., Nature 395, 780–783 (1998).Google Scholar
(8) Yanson, A. I., Bollinger, G. R., van der Brom, H. E., Agrait, N., and Ruitenbeek, J. M., Nature 395, 783–785 (1998).Google Scholar
(9) Marszalek, P. E., Greenleaf, W. J., Li, H., Oberhauser, A. F., and Fernandez, J. M., Proc. Nat. Acad. Sci, 97, 6282–6286 (2000).Google Scholar
(10) Kondo, Y. and Takayanagi, K., Science 289, 606–608 (2000).Google Scholar
(11) Rodrigues, V., Fuhrer, T., and Ugarte, D., Phys. Rev. Let. 85, 4124–4127 (2000).Google Scholar
(12) Rodrigues, V. and Ugarte, D., Phys. Rev. B 63, 073405–1–4 (2001).Google Scholar
(13) Wang, B., Yin, S., Wang, G., Buldum, A., and Zhao, J. (2001), Phys. Rev. Let. 86, 2046–2049.Google Scholar
(14) Zhong, Z. Y., Male, K. B., KB, , and Luong, J. H. T, Anal. Lett. 36 (15) 3097–3118 (2003).Google Scholar
(15) Wagner, P., Hegner, M., Kernen, P., Zaugg, F., and Semenza, G., Biophys. Jour. 70 (5) 2052–2066 (1996).Google Scholar
(16) Rabkeclemmer, C. E., Leavitt, A. J., and Beebe, T. P., Lang. 10 (6) 1796–1800 (1994).Google Scholar
(17) Savran, C. A., Knudsen, S. M., Ellington, A. D., and Manalis, S. R.. Anal. Chem. 76 (11) 3194–3198 (2004).Google Scholar
(18) Diao, J., Gall, K., Dunn, M. (2003), Nature Materials, 2, pp. 656–660.Google Scholar
(19) Jacobs, K., Zaziski, D., Scher, E. C., Herhold, A. B., and Alivisatos, A. P., Science, vol. 293, pp. 1803–1806 (2001).Google Scholar
(20) Zaziski, D., Prilliman, S., Scher, E. C., Casula, M., Wickham, J., Clark, S. M., and Alivisatos, A. P., Nanoletters, vol. 4, pp. 943–946(2004).Google Scholar
(21) Olson, G. B. and Hartman, H. (1982), J. De. Phys., vol. 43, pp. 855–865.Google Scholar
(22) Kanamaru, S., Leiman, P. G., Kostyuchenko, V. A., Chipman, P. R., Mesyanzhinov, V. V., Arisaka, F., and Rossmann, M. G., Nature, vol. 415, pp. 553–557 (2002).Google Scholar
(23) Jona, F. and Marcus, P. M., Phys. Rev. B, vol. 65, pp. 155403: 1–4 (2002).Google Scholar
(24) Ji, X. Z., Tian, Y., and Jona, F., Phys. Rev. B, vol. 65, pp. 155404: 1–4 (2002).Google Scholar
(25) Wills, J. M., Eriksson, O., Soderlind, P., and Boring, A. M., Phys. Rev. Lett., vol. 68, pp. 2802–2805 (1992).Google Scholar
(26) Mehl, M. J. and Boyer, L. L., Phys. Rev. B, 43, pp. 9498–9502 (1991).Google Scholar
(27) Mehl, M. J., Aguayo, A., Boyce, L. L., and de Coss, R., Phys. Rev. B 70, 014105 (2004).Google Scholar
(28) Daw, M. S., and Baskes, M. I., Phys. Rev. B 29 (12), 6443 (1984).Google Scholar
(29) Baskes, M.I, Phys. Rev. B 46, 2727–2742 (1992).Google Scholar
(30) Mehl, M. J. and Papaconstantopoulos, D. A., Phys. Rev. B 54(7): 4519–4530 (1996).Google Scholar
(31) Kresse, G. and Furthmüller, J., Phys. Rev. B 54, 11169 (1996).Google Scholar
(32) Diao, J., Gall, K. and Dunn, M. L.. J. Mech. Phys. Solids 52 (9), 1935–1962 (2004).Google Scholar
(33) Streitz, F. H., Cammarata, R. C., and Sieradzki, K., Phys. Rev. B 49 (15), 10699–10706 (1994).Google Scholar
(34) Fiorentini, V., Methfessel, M., and Scheffler, M., Phys. Rev. Lett. 71 (7): 1051–1054 (1993).Google Scholar
(35) Yu, B. D. BD, and Scheffler, M., Phys. Rev. B, 56 (24): R15569-R15572 (1997).Google Scholar
(36) Needs, R. J., Godfrey, M. J., and Mansfield, M., Surf. Sci. 242 (1–3): 215–221 (1991).Google Scholar
(37) Kollar, J., Vitos, L., Osorio-Guillen, J. M., and Ahuja, R., Phys. Rev. B, 68 (24): 245417 (2003).Google Scholar
(38) Diao, J., Gall, K. and Dunn, M. L., Phys. Rev. B 70, 075413 (2004).Google Scholar