Problem solving with pentagons: Tsai-type quasicrystal as a structural response to chemical pressure

Veronica M. Berns, Daniel C. Fredrickson*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Even after significant advances in the structural characterization of quasicrystals - phases whose diffraction patterns combine the sharp peaks normally associated with lattice periodicity and rotational symmetries antithetical to such periodicity - this new form of long-range order remains enigmatic. Here, we present DFT-chemical pressure calculations on the Tsai-type quasicrystal approximant CaCd6, which reveal how its icosahedral clusters can be traced to simple CaCu5-type (hP6) intermetallics. The results indicate that the Tsai-type clusters emerge from an atomic-size-driven transformation from planar arrangements to spherical clusters, recalling the relationship between graphene and C60.

Original languageEnglish (US)
Pages (from-to)12875-12877
Number of pages3
JournalInorganic chemistry
Volume52
Issue number22
DOIs
StatePublished - Nov 18 2013

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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