First-Principles Calculations of Spinodal Ordering Temperature and Diffuse Intensity Scattering Spectrum for Fe-Pt System
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概要
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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.
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