Abstract
Vibrational spectra of an icosahedral quasicrystal AlCuFe have been calculated on the basis of a crystalline 1/1 approximant by the recurrence method. To describe the interaction of atoms in a quasicrystal, the semiempirical EAM model was used. It is shown that the calculated spectra are in satisfactory agreement with the experimental neutron inelastic scattering data.
Similar content being viewed by others
References
T. Janssen, in Quasicrystals: An Introduction to Structure, Physical Properties, and Applications, Ed. by J.-B. Suck, M. Schreiber, and P. Haussler (Springer Ser. Mater. Sci., 2002), Vol. 55, p. 423.
H. Elhor, Dissertation (Tech. Univ. Chemnitz, 2003).
P. P. Parshin, M. G. Zemlyanov, A. V. Mashkov, et al., Fiz. Tverd. Tela (St. Petersburg) 46(3), 510 (2004) [Phys. Solid State 46 (3), 526 (2004)].
E. Cockayne, R. Phillips, X. B. Kan, et al., J. Non-Cryst. Solids 153–154, 140 (1993).
M. Cornier-Quiquandon, A. Quivy, S. Lefebvre, et al., Phys. Rev. B: Condens. Matter Mater. Phys. 44, 2071 (1991).
M. S. Daw and M. I. Baskes, Phys. Rev. B: Condens. Matter Mater. Phys. 29, 6443 (1984).
S. Chantasiriwan and F. Milstein, Phys. Rev. B: Condens. Matter Mater. Phys. 53, 14082 (1996).
S. Chantasiriwan and F. Milstein, Phys. Rev. B: Condens. Matter Mater. Phys. 58, 5996 (1998).
J. H. Rose, J. R. Smith, F. Guinea, et al., Phys. Rev. B: Condens. Matter Mater. Phys. 29, 2963 (1984).
S. Baroni, S. de Gironcoli, and A. Dal Corso, Rev. Mod. Phys. 73, 516 (2001).
F. Ercolessi, A Molecular Dynamics Primer (Spring College Computat. Phys., ICTP, Trieste, 1997), p. 49.
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © A.N. Rudenko, V.G. Mazurenko, 2007, published in Kristallografiya, 2007, Vol. 52, No. 6, pp. 1062–1066.
Rights and permissions
About this article
Cite this article
Rudenko, A.N., Mazurenko, V.G. Calculation of vibrational spectra of an icosahedral quasicrystal AlCuFe. Crystallogr. Rep. 52, 1025–1029 (2007). https://doi.org/10.1134/S1063774507060156
Received:
Issue Date:
DOI: https://doi.org/10.1134/S1063774507060156