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  • Razumovskiy, Vsevolod I., et al. (author)
  • First-principles study of elastic properties of Cr- and Fe-rich Fe-Cr alloys
  • 2011
  • In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 84:2
  • Journal article (peer-reviewed)abstract
    • Elastic properties of substitutionally disordered Cr- and Fe-rich Fe-Cr alloys are derived from first-principles calculations using the exact muffin-tin orbitals method and the coherent potential approximation. A peculiarity in the concentration dependence of elastic constants in Fe-rich alloys is demonstrated and related to a change in the Fermi surface topology. Our calculations predict high values for the elastic constants of Cr-rich Fe-Cr alloys, but at the same time show that these alloys could be rather brittle according to the Pugh criterion (the ratio between shear and bulk moduli is calculated to be greater than 0.5).
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Ruban, Andrei V. (1)
Korzhavyi, Pavel A., ... (1)
Razumovskiy, Vsevolo ... (1)
University
Royal Institute of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Engineering and Technology (1)
Year
2011 (1)

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