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Calculation of vibrational spectra of an icosahedral quasicrystal AlCuFe

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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.

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Correspondence to A. N. Rudenko.

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Original Russian Text © A.N. Rudenko, V.G. Mazurenko, 2007, published in Kristallografiya, 2007, Vol. 52, No. 6, pp. 1062–1066.

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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

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  • DOI: https://doi.org/10.1134/S1063774507060156

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