Volume 38, Number 3, April III 1997
|Page(s)||189 - 194|
|Section||Condensed matter: structure, thermal and mechanical properties|
|Published online||01 September 2002|
Thermodynamically stable one-component metallic quasicrystals
Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria
Accepted: 13 March 1997
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing the free energies of several periodic crystals and rational approximant models of quasicrystals over a range of pseudopotential parameters, thermodynamically stable quasicrystals are predicted for parameters approaching the limits of mechanical stability of the crystalline structures. The results support and significantly extend conclusions of previous ground-state lattice-sum studies.
PACS: 61.44.Br – Quasicrystals / 64.70.Dv – Solid-liquid transitions / 61.25.Mv – Liquid metals and alloys
© EDP Sciences, 1997
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