Adaptive crystal structures: CuAu and NiPt

M. Sanati, L. G. Wang, Alex Zunger

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Abstract

The adaptive crystal structures in CuAu and NiPt were discussed. The different fcc configurations whose energies are parametrized using a cluster expansion were searched for the discovery of adaptive crystal structures. The compounds are found to contain a composition range of quasicontinuum of stable, ordered, adaptive structures and this adaptivity was explained through anisotropic long-range strain energy.

Original languageEnglish
Article number045502
Pages (from-to)455021-455024
Number of pages4
JournalPhysical Review Letters
Volume90
Issue number4
StatePublished - Jan 31 2003

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