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We have calculated the equation of state and elastic properties offace-centered cubic Fe and Fe-rich FeMg alloy at ultrahigh pressures from firstprinciples using the Exact Muffin-Tin Orbitals method. The results show thatadding Mg into Fe influences strongly the equation of state, and cause a largedegree of softening of the elastic constants, even at concentrations as smallas 1-2 at. %. Moreover, the elastic anisotropy increases, and the effect ishigher at higher pressures.

Equation of state and elastic properties of face-centered-cubic FeMg alloy at ultrahigh pressures from first-principles