Icosahedral Ti-Zr-Ni: A groundstate quasicrystal?

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dc.creatorHennig, R. G.
dc.creatorCarlsson, A. E.
dc.creatorKelton, K. F.
dc.creatorHenley, C. L.
dc.date2002-05-09
dc.date.accessioned2026-07-07T02:45:24Z
dc.date.available2026-07-07T02:45:24Z
dc.descriptionThe first complete ab initio zero-temperature ternary phase diagram is constructed from the calculated energies of the elemental, binary and ternary Ti-Zr-Ni phases; for this, the icosahedral i-TiZrNi quasicrystal phase is approximated by periodic structures of up to 123 atoms/unit cell, based on a decorated-tiling model. The approximant structures containing the 45-atom Bergman cluster were nearly degenerate, and stable against the competing binary phases. It is speculated that i-TiZrNi may be a ground state quasicrystal, as it is experimentally the low-temperature phase for its composition.
dc.description4 pages, 1 figure
dc.identifierhttps://arxiv.org/abs/cond-mat/0205202
dc.identifierhttp://arxiv.org/abs/cond-mat/0205202
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/19285
dc.subjectMaterials Science
dc.titleIcosahedral Ti-Zr-Ni: A groundstate quasicrystal?
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