First-principles calculations of spinodal ordering temperature and diffuse intensity scattering spectrum for Fe-Pt system

Tetsuo Mohri

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

First-principles calculations are performed to derive a L1 0-disorder phase diagram, spinodal ordering temperature and short-range-order diffuse-intensity spectrum for the Fe-Pt system. L1 0-disorder transition is confirmed to be of the first order by both the temperature dependence of the long-range-order parameter and the large separation between the transition temperature and spinodal ordering temperature. Short-range-order diffuse-intensity maximum appears at (100) which is intensified as the spinodal-ordering temperature is approached. The consistency among all these results supports the reliability of the description of the cluster variation free energy used for this study.

Original languageEnglish
Pages (from-to)537-542
Number of pages6
JournalJournal of Phase Equilibria and Diffusion
Volume32
Issue number6
DOIs
Publication statusPublished - 2011 Dec

Keywords

  • Correlation function
  • Fe-Pt system
  • First-principles calculation
  • Instrinsic stability
  • Phase diagram

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Metals and Alloys
  • Materials Chemistry

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