Computational materials science: Think locally, act globally

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The exceptional behavior of perovskite oxide, PZT, was studied. The phase diagrams of the mixed compound PZT were also discussed. New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a PZT.

Original languageEnglish (US)
Pages (from-to)147-148
Number of pages2
JournalNature materials
Issue number3
StatePublished - Nov 2002

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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