Abstract
Gold nanoclusters with disordered and ordered structures are obtained as the lowest-energy configurations of the cluster potential energy surface (PES) by unconstrained dynamical and genetic/symbiotic optimization methods using an n-body Gupta potential and first-principle calculations [Phys. Rev. Lett. 81, 1600 (1998)]. In this paper, we report the distribution of lowest-energy minima which characterize the PES of the Au38 cluster, and a comparison of structural and thermal stability properties among several representative isomers is presented. Coexistence among different cluster isomeric structures is observed at temperatures around 250 K. The structure factor calculated from the most stable (lowest-energy) amorphous-like cluster configuration is in better agreement with the X-ray powder-diffraction experimental measurements than those calculated from ordered structures.
This is a preview of subscription content, log in via an institution.
Preview
Unable to display preview. Download preview PDF.
References
R.L. Whetten et al.: Adv. Mater. 5, 8 (1996)
MAI. Alvarez et al.: Chern. Phys. Lett. 266, 91 (1997)
T.G. Schaaff et al.: J. Phys. Chem, 101, 7885 (1997)
W.D. Luedtke, U. Landman: J. Phys. Chem. 100, 13 323 (1996)
C.L. Cleveland et al.: Z. Phys. D 40, 503 (1997)
C.L. Cleveland et al.: Phys.Rey. Lett. 79, 1873 (1997)
O.D. Häberlen et al.: J. Chem. Phys. 106, 5189 (1997)
R.P. Andres et al.: Science 272, 1323 (1996)
R.P. Andres et al.: Science 273, 1690 (1996)
I.L. Garz6n et al.: Phys. Rev. Lett. 81, 1600 (1998)
K. Michaelian: Am. J. Phys, 66, 231 (1998)
K. Michaelian: Chern. Phys. Lett. 293, 202 (1998)
D.J. Wales: Science 271, 925 (1996)
V. Rossato, M. Guillope, B. Legrand: Philos. 1“viag. A. 59, 321 (1989)
I.L. Garzen, A. Posa,cla-Amarillas: Phys, Rev. B 54, 11 796 (1996)
A. Posa.da-Amarillas, I.L. Garzdn: Phys. Rey, B 53, 8363 (1996)
A. Posada-Amarillas, LL. Garzón: Phys. Rev. B 54, 10 362 (1996)
S.M. Folks: Mater. Res. Soc. Bull. 21, 24 (1996)
J. Jellinek, I.L. Garzón: Z. Phys. D 20, 239 (1991);
I.L. Garzón, J. Jellinek: Z. Phys. D 20, 235 (1991); Z. Phys. D 26, 316 (1993)
J.P.K. Doye, D.J. Wales: Phys. Rev, Lett. 80, 1357 (1998)
D.M. Deaven, K.M. Ho: Phys. Rev, Lett. 75, 288 (1995);
D.M. Deaven et al.: Chem. Phys. Lett. 256, 195 (1996)
P. Ordejón, E. Artacho, J.M. Soler: Phys. Rev. B 53, 10 441 (1996);
D. Sanchez-Portal et al.: Int. J. Quantum Chem. 65, 453 (1997)
N. Troullier, J.L. Martins: Phys. Rev. B 43, 1993 (1991)
J.P. Rose, R.S. Berry: J. Chem. Phys. 98, 3262 (1993)
J.M. Soler et al.: to be published
K. Michaelian, N. Rendón, I. L Garzón: to be published
T.P. Martin: Phys. Rep. 95, 167 (1983)
S. Tehuacanero et al,: Acta Metall. Mater. 40, 1663 (1992)
W. Krakow, M.J. Yacanidn, J.L. Aragón: Phys. Rev. B 49, 10 591 (1994)
C.A. Mirkin et al.: Nature 382, 607 (1996)
A.P. Alüvisatos et al.: Nature 382, 609 (1996)
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1999 Springer-Verlag Italia
About this paper
Cite this paper
Garzón, I.L. et al. (1999). Structure and thermal stability of gold nanoclusters: The Au38 case. In: Châtelain, A., Bonard, JM. (eds) The European Physical Journal D. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-88188-6_41
Download citation
DOI: https://doi.org/10.1007/978-3-642-88188-6_41
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-88190-9
Online ISBN: 978-3-642-88188-6
eBook Packages: Springer Book Archive