Abstract

The Fe-Ni alloys attract the great consciousness of researchers due to their anomalously low thermal expansion coefficient for Fe-rich compositions and numerous technological and practical applications. The structural, vibrational and electronic properties of tetrataenite L10 FeNi studied using the first-principles plane wave self-consistent method with the Ultrasoft pseudopotential scheme under the framework of density functional theory. Calculated c/a ratio and isothermal bulk modulus for tetrataenite L10 FeNi presented with the other available results. Conclusions based on the phonon dispersion curves, phonon density of states and electronic band structure along with the total and projected density of states are outlined.

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